1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide

C303H240Cl18F63N29O14 — CID 159796590

IUPAC1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
SMILESC=CC[C@](NC(=C)C1CC1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.C=CC[C@](NC(=C)c1ccc(F)c(C(F)(F)F)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.C=CC[C@](NC(=O)NC(C)C)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.C=CC[C@](NC(=O)NC1CCCC1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.CC(C)NC(=O)N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.CO[C@](C(=O)N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)(c1ccccc1)C(F)(F)F.COc1ccccc1C[C@](NC(=O)C1CC1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.COc1ccccc1C[C@](NC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.O=C(NC1CCCC1)N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.O=C(N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)C1CC1.O=C(N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)c1ccc(F)c(C(F)(F)F)c1.O=C(Nc1cccc(F)c1)N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1
InChIInChI=1S/C31H24ClF7N2O3.C30H21Cl2F7N2O2.C28H16Cl2F8N2O.C27H18Cl2F5N3O.C26H23Cl2F4N3O.C25H17ClF8N2.C25H21ClF4N2O2.C24H21Cl2F4N3O.C24H18Cl2F4N2O.C22H22ClF4N3O.C21H19ClF4N2.C20H20ClF4N3O/c1-43-25-11-7-6-8-19(25)17-28(26-13-12-23(32)18-40-26,21-14-22(30(34,35)36)16-24(33)15-21)41-27(42)29(44-2,31(37,38)39)20-9-4-3-5-10-20;1-43-28(30(37,38)39,19-7-3-2-4-8-19)26(42)41-27(25-11-10-23(32)17-40-25,16-18-6-5-9-22(31)12-18)20-13-21(29(34,35)36)15-24(33)14-20;29-19-3-1-2-15(8-19)13-26(24-7-5-20(30)14-39-24,17-10-18(27(33,34)35)12-21(31)11-17)40-25(41)16-4-6-23(32)22(9-16)28(36,37)38;28-19-4-1-3-16(9-19)14-26(24-8-7-20(29)15-35-24,17-10-18(27(32,33)34)12-22(31)11-17)37-25(38)36-23-6-2-5-21(30)13-23;27-19-5-3-4-16(10-19)14-25(23-9-8-20(28)15-33-23,35-24(36)34-22-6-1-2-7-22)17-11-18(26(30,31)32)13-21(29)12-17;1-3-8-23(22-7-5-18(26)13-35-22,16-10-17(24(29,30)31)12-19(27)11-16)36-14(2)15-4-6-21(28)20(9-15)25(32,33)34;1-34-21-5-3-2-4-16(21)13-24(32-23(33)15-6-7-15,22-9-8-19(26)14-31-22)17-10-18(25(28,29)30)12-20(27)11-17;1-14(2)32-22(34)33-23(21-7-6-19(26)13-31-21,12-15-4-3-5-18(25)8-15)16-9-17(24(28,29)30)11-20(27)10-16;25-18-3-1-2-14(8-18)12-23(32-22(33)15-4-5-15,21-7-6-19(26)13-31-21)16-9-17(24(28,29)30)11-20(27)10-16;1-2-9-21(19-8-7-16(23)13-28-19,30-20(31)29-18-5-3-4-6-18)14-10-15(22(25,26)27)12-17(24)11-14;1-3-8-20(28-13(2)14-4-5-14,19-7-6-17(22)12-27-19)15-9-16(21(24,25)26)11-18(23)10-15;1-4-7-19(28-18(29)27-12(2)3,17-6-5-15(21)11-26-17)13-8-14(20(23,24)25)10-16(22)9-13/h3-16,18H,17H2,1-2H3,(H,41,42);2-15,17H,16H2,1H3,(H,41,42);1-12,14H,13H2,(H,40,41);1-13,15H,14H2,(H2,36,37,38);3-5,8-13,15,22H,1-2,6-7,14H2,(H2,34,35,36);3-7,9-13,36H,1-2,8H2;2-5,8-12,14-15H,6-7,13H2,1H3,(H,32,33);3-11,13-14H,12H2,1-2H3,(H2,32,33,34);1-3,6-11,13,15H,4-5,12H2,(H,32,33);2,7-8,10-13,18H,1,3-6,9H2,(H2,29,30,31);3,6-7,9-12,14,28H,1-2,4-5,8H2;4-6,8-12H,1,7H2,2-3H3,(H2,27,28,29)/t28-,29-;27-,28-;2*26-;25-;23-;24-;2*23-;21-;20-;19-/m000000000000/s1
InChIKeyNJGAQBXGWFKMBV-FCRHMWKTSA-N
MW6346.47 g/mol
LogP84.69
Rot. Bonds80

About 1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide

1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide (PubChem CID 159796590) has the molecular formula C303H240Cl18F63N29O14 and a molecular weight of 6346.47 g/mol. Its IUPAC name is 1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide.

Molecular Properties

Compound Name1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
PubChem CID159796590
Molecular FormulaC303H240Cl18F63N29O14
Molecular Weight6346.47 g/mol
Exact Mass6334.23
IUPAC Name1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
SMILESC=CC[C@](NC(=C)C1CC1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.C=CC[C@](NC(=C)c1ccc(F)c(C(F)(F)F)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.C=CC[C@](NC(=O)NC(C)C)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.C=CC[C@](NC(=O)NC1CCCC1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.CC(C)NC(=O)N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.CO[C@](C(=O)N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)(c1ccccc1)C(F)(F)F.COc1ccccc1C[C@](NC(=O)C1CC1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.COc1ccccc1C[C@](NC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.O=C(NC1CCCC1)N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.O=C(N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)C1CC1.O=C(N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)c1ccc(F)c(C(F)(F)F)c1.O=C(Nc1cccc(F)c1)N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1
InChIInChI=1S/C31H24ClF7N2O3.C30H21Cl2F7N2O2.C28H16Cl2F8N2O.C27H18Cl2F5N3O.C26H23Cl2F4N3O.C25H17ClF8N2.C25H21ClF4N2O2.C24H21Cl2F4N3O.C24H18Cl2F4N2O.C22H22ClF4N3O.C21H19ClF4N2.C20H20ClF4N3O/c1-43-25-11-7-6-8-19(25)17-28(26-13-12-23(32)18-40-26,21-14-22(30(34,35)36)16-24(33)15-21)41-27(42)29(44-2,31(37,38)39)20-9-4-3-5-10-20;1-43-28(30(37,38)39,19-7-3-2-4-8-19)26(42)41-27(25-11-10-23(32)17-40-25,16-18-6-5-9-22(31)12-18)20-13-21(29(34,35)36)15-24(33)14-20;29-19-3-1-2-15(8-19)13-26(24-7-5-20(30)14-39-24,17-10-18(27(33,34)35)12-21(31)11-17)40-25(41)16-4-6-23(32)22(9-16)28(36,37)38;28-19-4-1-3-16(9-19)14-26(24-8-7-20(29)15-35-24,17-10-18(27(32,33)34)12-22(31)11-17)37-25(38)36-23-6-2-5-21(30)13-23;27-19-5-3-4-16(10-19)14-25(23-9-8-20(28)15-33-23,35-24(36)34-22-6-1-2-7-22)17-11-18(26(30,31)32)13-21(29)12-17;1-3-8-23(22-7-5-18(26)13-35-22,16-10-17(24(29,30)31)12-19(27)11-16)36-14(2)15-4-6-21(28)20(9-15)25(32,33)34;1-34-21-5-3-2-4-16(21)13-24(32-23(33)15-6-7-15,22-9-8-19(26)14-31-22)17-10-18(25(28,29)30)12-20(27)11-17;1-14(2)32-22(34)33-23(21-7-6-19(26)13-31-21,12-15-4-3-5-18(25)8-15)16-9-17(24(28,29)30)11-20(27)10-16;25-18-3-1-2-14(8-18)12-23(32-22(33)15-4-5-15,21-7-6-19(26)13-31-21)16-9-17(24(28,29)30)11-20(27)10-16;1-2-9-21(19-8-7-16(23)13-28-19,30-20(31)29-18-5-3-4-6-18)14-10-15(22(25,26)27)12-17(24)11-14;1-3-8-20(28-13(2)14-4-5-14,19-7-6-17(22)12-27-19)15-9-16(21(24,25)26)11-18(23)10-15;1-4-7-19(28-18(29)27-12(2)3,17-6-5-15(21)11-26-17)13-8-14(20(23,24)25)10-16(22)9-13/h3-16,18H,17H2,1-2H3,(H,41,42);2-15,17H,16H2,1H3,(H,41,42);1-12,14H,13H2,(H,40,41);1-13,15H,14H2,(H2,36,37,38);3-5,8-13,15,22H,1-2,6-7,14H2,(H2,34,35,36);3-7,9-13,36H,1-2,8H2;2-5,8-12,14-15H,6-7,13H2,1H3,(H,32,33);3-11,13-14H,12H2,1-2H3,(H2,32,33,34);1-3,6-11,13,15H,4-5,12H2,(H,32,33);2,7-8,10-13,18H,1,3-6,9H2,(H2,29,30,31);3,6-7,9-12,14,28H,1-2,4-5,8H2;4-6,8-12H,1,7H2,2-3H3,(H2,27,28,29)/t28-,29-;27-,28-;2*26-;25-;23-;24-;2*23-;21-;20-;19-/m000000000000/s1
InChIKeyNJGAQBXGWFKMBV-FCRHMWKTSA-N
XLogP84.69
TPSA566.81 Ų
H-Bond Donors17
H-Bond Acceptors28
Rotatable Bonds80
Heavy Atoms427
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006346.47
LogP ≤ 584.69
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1028

Analyze 1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide?
The IUPAC name of 1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide (CID 159796590) is 1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide.
What is the SMILES notation for 1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide?
The canonical SMILES for 1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide is C=CC[C@](NC(=C)C1CC1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.C=CC[C@](NC(=C)c1ccc(F)c(C(F)(F)F)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.C=CC[C@](NC(=O)NC(C)C)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.C=CC[C@](NC(=O)NC1CCCC1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.CC(C)NC(=O)N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.CO[C@](C(=O)N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)(c1ccccc1)C(F)(F)F.COc1ccccc1C[C@](NC(=O)C1CC1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.COc1ccccc1C[C@](NC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.O=C(NC1CCCC1)N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.O=C(N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)C1CC1.O=C(N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)c1ccc(F)c(C(F)(F)F)c1.O=C(Nc1cccc(F)c1)N[C@@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.
What is the InChIKey of 1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide?
The InChIKey is NJGAQBXGWFKMBV-FCRHMWKTSA-N. The full InChI is InChI=1S/C31H24ClF7N2O3.C30H21Cl2F7N2O2.C28H16Cl2F8N2O.C27H18Cl2F5N3O.C26H23Cl2F4N3O.C25H17ClF8N2.C25H21ClF4N2O2.C24H21Cl2F4N3O.C24H18Cl2F4N2O.C22H22ClF4N3O.C21H19ClF4N2.C20H20ClF4N3O/c1-43-25-11-7-6-8-19(25)17-28(26-13-12-23(32)18-40-26,21-14-22(30(34,35)36)16-24(33)15-21)41-27(42)29(44-2,31(37,38)39)20-9-4-3-5-10-20;1-43-28(30(37,38)39,19-7-3-2-4-8-19)26(42)41-27(25-11-10-23(32)17-40-25,16-18-6-5-9-22(31)12-18)20-13-21(29(34,35)36)15-24(33)14-20;29-19-3-1-2-15(8-19)13-26(24-7-5-20(30)14-39-24,17-10-18(27(33,34)35)12-21(31)11-17)40-25(41)16-4-6-23(32)22(9-16)28(36,37)38;28-19-4-1-3-16(9-19)14-26(24-8-7-20(29)15-35-24,17-10-18(27(32,33)34)12-22(31)11-17)37-25(38)36-23-6-2-5-21(30)13-23;27-19-5-3-4-16(10-19)14-25(23-9-8-20(28)15-33-23,35-24(36)34-22-6-1-2-7-22)17-11-18(26(30,31)32)13-21(29)12-17;1-3-8-23(22-7-5-18(26)13-35-22,16-10-17(24(29,30)31)12-19(27)11-16)36-14(2)15-4-6-21(28)20(9-15)25(32,33)34;1-34-21-5-3-2-4-16(21)13-24(32-23(33)15-6-7-15,22-9-8-19(26)14-31-22)17-10-18(25(28,29)30)12-20(27)11-17;1-14(2)32-22(34)33-23(21-7-6-19(26)13-31-21,12-15-4-3-5-18(25)8-15)16-9-17(24(28,29)30)11-20(27)10-16;25-18-3-1-2-14(8-18)12-23(32-22(33)15-4-5-15,21-7-6-19(26)13-31-21)16-9-17(24(28,29)30)11-20(27)10-16;1-2-9-21(19-8-7-16(23)13-28-19,30-20(31)29-18-5-3-4-6-18)14-10-15(22(25,26)27)12-17(24)11-14;1-3-8-20(28-13(2)14-4-5-14,19-7-6-17(22)12-27-19)15-9-16(21(24,25)26)11-18(23)10-15;1-4-7-19(28-18(29)27-12(2)3,17-6-5-15(21)11-26-17)13-8-14(20(23,24)25)10-16(22)9-13/h3-16,18H,17H2,1-2H3,(H,41,42);2-15,17H,16H2,1H3,(H,41,42);1-12,14H,13H2,(H,40,41);1-13,15H,14H2,(H2,36,37,38);3-5,8-13,15,22H,1-2,6-7,14H2,(H2,34,35,36);3-7,9-13,36H,1-2,8H2;2-5,8-12,14-15H,6-7,13H2,1H3,(H,32,33);3-11,13-14H,12H2,1-2H3,(H2,32,33,34);1-3,6-11,13,15H,4-5,12H2,(H,32,33);2,7-8,10-13,18H,1,3-6,9H2,(H2,29,30,31);3,6-7,9-12,14,28H,1-2,4-5,8H2;4-6,8-12H,1,7H2,2-3H3,(H2,27,28,29)/t28-,29-;27-,28-;2*26-;25-;23-;24-;2*23-;21-;20-;19-/m000000000000/s1.
What are the key properties of 1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide?
1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide has a molecular weight of 6346.47 g/mol, XLogP of 84.69, 80 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-(3-fluorophenyl)urea;N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;1-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-propan-2-ylurea;(2S)-N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide;(1S)-1-(5-chloro-2-pyridinyl)-N-(1-cyclopropylethenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-propan-2-ylurea;(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]but-3-en-1-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]cyclopropanecarboxamide;(2S)-N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide is sourced from PubChem (CID 159796590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).