1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane

C267H220Cl10F35N27O23 — CID 157400799

IUPAC1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane
SMILESC.CC(C)NC(=O)NC(Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)O2)c1ccc(Cl)cn1.CC(F)(F)c1cc(C(=O)NC(Cc2ccccc2)(c2ccc3c(c2)OC(F)(F)O3)c2ccc(Cl)cn2)ccc1F.CC(F)C(F)(F)Oc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)cc1.CC(NC(=O)Nc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.CC1(F)Oc2ccc(C(Cc3ccccc3)(NC(=O)C3CC3)c3ccc(Cl)cn3)cc2O1.CN(C)c1ccc(C(Cc2ccccc2)(NC(=O)C2CC2)c2ccc(Cl)cn2)cc1C(F)(F)F.CN(C)c1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)cc1C(F)(F)F.Cc1cccc(NC(=O)NC(Cc2ccccc2)(c2ccc3c(c2)OC(F)(F)O3)c2ccc(Cl)cn2)c1.O=C(NC1CCCC1)NC(Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)O2)c1ccc(Cl)cn1.O=C(Nc1ccccc1)NC(Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)O2)c1ccc(Cl)cn1
InChIInChI=1S/C30H23ClF7N3O.C30H22ClF7N2O2.C29H20ClF5N2O3.C28H22ClF2N3O3.C27H20ClF2N3O3.C26H25ClF3N3O.C26H24ClF2N3O3.C25H22ClFN2O3.C24H22ClF2N3O3.C21H16ClF4N3O.CH4/c1-41(2)25-12-9-20(15-23(25)30(36,37)38)28(16-18-6-4-3-5-7-18,26-13-10-21(31)17-39-26)40-27(42)19-8-11-24(32)22(14-19)29(33,34)35;1-18(32)30(37,38)42-23-11-8-21(9-12-23)28(16-19-5-3-2-4-6-19,26-14-10-22(31)17-39-26)40-27(41)20-7-13-25(33)24(15-20)29(34,35)36;1-27(32,33)21-13-18(7-10-22(21)31)26(38)37-28(15-17-5-3-2-4-6-17,25-12-9-20(30)16-36-25)19-8-11-23-24(14-19)40-29(34,35)39-23;1-18-6-5-9-22(14-18)33-26(35)34-27(16-19-7-3-2-4-8-19,25-13-11-21(29)17-32-25)20-10-12-23-24(15-20)37-28(30,31)36-23;28-20-12-14-24(31-17-20)26(16-18-7-3-1-4-8-18,33-25(34)32-21-9-5-2-6-10-21)19-11-13-22-23(15-19)36-27(29,30)35-22;1-33(2)22-12-10-19(14-21(22)26(28,29)30)25(32-24(34)18-8-9-18,15-17-6-4-3-5-7-17)23-13-11-20(27)16-31-23;27-19-11-13-23(30-16-19)25(15-17-6-2-1-3-7-17,32-24(33)31-20-8-4-5-9-20)18-10-12-21-22(14-18)35-26(28,29)34-21;1-24(27)31-20-11-9-18(13-21(20)32-24)25(29-23(30)17-7-8-17,14-16-5-3-2-4-6-16)22-12-10-19(26)15-28-22;1-15(2)29-22(31)30-23(13-16-6-4-3-5-7-16,21-11-9-18(25)14-28-21)17-8-10-19-20(12-17)33-24(26,27)32-19;1-20(18-8-7-15(22)12-27-18,29-19(30)28-17-5-3-2-4-6-17)13-9-14(21(24,25)26)11-16(23)10-13;/h3-15,17H,16H2,1-2H3,(H,40,42);2-15,17-18H,16H2,1H3,(H,40,41);2-14,16H,15H2,1H3,(H,37,38);2-15,17H,16H2,1H3,(H2,33,34,35);1-15,17H,16H2,(H2,32,33,34);3-7,10-14,16,18H,8-9,15H2,1-2H3,(H,32,34);1-3,6-7,10-14,16,20H,4-5,8-9,15H2,(H2,31,32,33);2-6,9-13,15,17H,7-8,14H2,1H3,(H,29,30);3-12,14-15H,13H2,1-2H3,(H2,29,30,31);2-12H,1H3,(H2,28,29,30);1H4
InChIKeyBNDDJUHMKSGWEB-UHFFFAOYSA-N
MW5194.32 g/mol
LogP64.94
Rot. Bonds64

About 1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane

1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane (PubChem CID 157400799) has the molecular formula C267H220Cl10F35N27O23 and a molecular weight of 5194.32 g/mol. Its IUPAC name is 1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane.

Molecular Properties

Compound Name1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane
PubChem CID157400799
Molecular FormulaC267H220Cl10F35N27O23
Molecular Weight5194.32 g/mol
Exact Mass5186.32
IUPAC Name1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane
SMILESC.CC(C)NC(=O)NC(Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)O2)c1ccc(Cl)cn1.CC(F)(F)c1cc(C(=O)NC(Cc2ccccc2)(c2ccc3c(c2)OC(F)(F)O3)c2ccc(Cl)cn2)ccc1F.CC(F)C(F)(F)Oc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)cc1.CC(NC(=O)Nc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.CC1(F)Oc2ccc(C(Cc3ccccc3)(NC(=O)C3CC3)c3ccc(Cl)cn3)cc2O1.CN(C)c1ccc(C(Cc2ccccc2)(NC(=O)C2CC2)c2ccc(Cl)cn2)cc1C(F)(F)F.CN(C)c1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)cc1C(F)(F)F.Cc1cccc(NC(=O)NC(Cc2ccccc2)(c2ccc3c(c2)OC(F)(F)O3)c2ccc(Cl)cn2)c1.O=C(NC1CCCC1)NC(Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)O2)c1ccc(Cl)cn1.O=C(Nc1ccccc1)NC(Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)O2)c1ccc(Cl)cn1
InChIInChI=1S/C30H23ClF7N3O.C30H22ClF7N2O2.C29H20ClF5N2O3.C28H22ClF2N3O3.C27H20ClF2N3O3.C26H25ClF3N3O.C26H24ClF2N3O3.C25H22ClFN2O3.C24H22ClF2N3O3.C21H16ClF4N3O.CH4/c1-41(2)25-12-9-20(15-23(25)30(36,37)38)28(16-18-6-4-3-5-7-18,26-13-10-21(31)17-39-26)40-27(42)19-8-11-24(32)22(14-19)29(33,34)35;1-18(32)30(37,38)42-23-11-8-21(9-12-23)28(16-19-5-3-2-4-6-19,26-14-10-22(31)17-39-26)40-27(41)20-7-13-25(33)24(15-20)29(34,35)36;1-27(32,33)21-13-18(7-10-22(21)31)26(38)37-28(15-17-5-3-2-4-6-17,25-12-9-20(30)16-36-25)19-8-11-23-24(14-19)40-29(34,35)39-23;1-18-6-5-9-22(14-18)33-26(35)34-27(16-19-7-3-2-4-8-19,25-13-11-21(29)17-32-25)20-10-12-23-24(15-20)37-28(30,31)36-23;28-20-12-14-24(31-17-20)26(16-18-7-3-1-4-8-18,33-25(34)32-21-9-5-2-6-10-21)19-11-13-22-23(15-19)36-27(29,30)35-22;1-33(2)22-12-10-19(14-21(22)26(28,29)30)25(32-24(34)18-8-9-18,15-17-6-4-3-5-7-17)23-13-11-20(27)16-31-23;27-19-11-13-23(30-16-19)25(15-17-6-2-1-3-7-17,32-24(33)31-20-8-4-5-9-20)18-10-12-21-22(14-18)35-26(28,29)34-21;1-24(27)31-20-11-9-18(13-21(20)32-24)25(29-23(30)17-7-8-17,14-16-5-3-2-4-6-16)22-12-10-19(26)15-28-22;1-15(2)29-22(31)30-23(13-16-6-4-3-5-7-16,21-11-9-18(25)14-28-21)17-8-10-19-20(12-17)33-24(26,27)32-19;1-20(18-8-7-15(22)12-27-18,29-19(30)28-17-5-3-2-4-6-17)13-9-14(21(24,25)26)11-16(23)10-13;/h3-15,17H,16H2,1-2H3,(H,40,42);2-15,17-18H,16H2,1H3,(H,40,41);2-14,16H,15H2,1H3,(H,37,38);2-15,17H,16H2,1H3,(H2,33,34,35);1-15,17H,16H2,(H2,32,33,34);3-7,10-14,16,18H,8-9,15H2,1-2H3,(H,32,34);1-3,6-7,10-14,16,20H,4-5,8-9,15H2,(H2,31,32,33);2-6,9-13,15,17H,7-8,14H2,1H3,(H,29,30);3-12,14-15H,13H2,1-2H3,(H2,29,30,31);2-12H,1H3,(H2,28,29,30);1H4
InChIKeyBNDDJUHMKSGWEB-UHFFFAOYSA-N
XLogP64.94
TPSA606.52 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds64
Heavy Atoms362
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005194.32
LogP ≤ 564.94
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Analyze 1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane with MolForge

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What is the IUPAC name of 1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane?
The IUPAC name of 1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane (CID 157400799) is 1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane.
What is the SMILES notation for 1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane?
The canonical SMILES for 1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane is C.CC(C)NC(=O)NC(Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)O2)c1ccc(Cl)cn1.CC(F)(F)c1cc(C(=O)NC(Cc2ccccc2)(c2ccc3c(c2)OC(F)(F)O3)c2ccc(Cl)cn2)ccc1F.CC(F)C(F)(F)Oc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)cc1.CC(NC(=O)Nc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.CC1(F)Oc2ccc(C(Cc3ccccc3)(NC(=O)C3CC3)c3ccc(Cl)cn3)cc2O1.CN(C)c1ccc(C(Cc2ccccc2)(NC(=O)C2CC2)c2ccc(Cl)cn2)cc1C(F)(F)F.CN(C)c1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)cc1C(F)(F)F.Cc1cccc(NC(=O)NC(Cc2ccccc2)(c2ccc3c(c2)OC(F)(F)O3)c2ccc(Cl)cn2)c1.O=C(NC1CCCC1)NC(Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)O2)c1ccc(Cl)cn1.O=C(Nc1ccccc1)NC(Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)O2)c1ccc(Cl)cn1.
What is the InChIKey of 1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane?
The InChIKey is BNDDJUHMKSGWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClF7N3O.C30H22ClF7N2O2.C29H20ClF5N2O3.C28H22ClF2N3O3.C27H20ClF2N3O3.C26H25ClF3N3O.C26H24ClF2N3O3.C25H22ClFN2O3.C24H22ClF2N3O3.C21H16ClF4N3O.CH4/c1-41(2)25-12-9-20(15-23(25)30(36,37)38)28(16-18-6-4-3-5-7-18,26-13-10-21(31)17-39-26)40-27(42)19-8-11-24(32)22(14-19)29(33,34)35;1-18(32)30(37,38)42-23-11-8-21(9-12-23)28(16-19-5-3-2-4-6-19,26-14-10-22(31)17-39-26)40-27(41)20-7-13-25(33)24(15-20)29(34,35)36;1-27(32,33)21-13-18(7-10-22(21)31)26(38)37-28(15-17-5-3-2-4-6-17,25-12-9-20(30)16-36-25)19-8-11-23-24(14-19)40-29(34,35)39-23;1-18-6-5-9-22(14-18)33-26(35)34-27(16-19-7-3-2-4-8-19,25-13-11-21(29)17-32-25)20-10-12-23-24(15-20)37-28(30,31)36-23;28-20-12-14-24(31-17-20)26(16-18-7-3-1-4-8-18,33-25(34)32-21-9-5-2-6-10-21)19-11-13-22-23(15-19)36-27(29,30)35-22;1-33(2)22-12-10-19(14-21(22)26(28,29)30)25(32-24(34)18-8-9-18,15-17-6-4-3-5-7-17)23-13-11-20(27)16-31-23;27-19-11-13-23(30-16-19)25(15-17-6-2-1-3-7-17,32-24(33)31-20-8-4-5-9-20)18-10-12-21-22(14-18)35-26(28,29)34-21;1-24(27)31-20-11-9-18(13-21(20)32-24)25(29-23(30)17-7-8-17,14-16-5-3-2-4-6-16)22-12-10-19(26)15-28-22;1-15(2)29-22(31)30-23(13-16-6-4-3-5-7-16,21-11-9-18(25)14-28-21)17-8-10-19-20(12-17)33-24(26,27)32-19;1-20(18-8-7-15(22)12-27-18,29-19(30)28-17-5-3-2-4-6-17)13-9-14(21(24,25)26)11-16(23)10-13;/h3-15,17H,16H2,1-2H3,(H,40,42);2-15,17-18H,16H2,1H3,(H,40,41);2-14,16H,15H2,1H3,(H,37,38);2-15,17H,16H2,1H3,(H2,33,34,35);1-15,17H,16H2,(H2,32,33,34);3-7,10-14,16,18H,8-9,15H2,1-2H3,(H,32,34);1-3,6-7,10-14,16,20H,4-5,8-9,15H2,(H2,31,32,33);2-6,9-13,15,17H,7-8,14H2,1H3,(H,29,30);3-12,14-15H,13H2,1-2H3,(H2,29,30,31);2-12H,1H3,(H2,28,29,30);1H4.
What are the key properties of 1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane?
1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane has a molecular weight of 5194.32 g/mol, XLogP of 64.94, 64 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-cyclopentylurea;N-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-(3-methylphenyl)urea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[1-(5-chloro-2-pyridinyl)-1-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-phenylethyl]cyclopropanecarboxamide;1-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[4-(1,1,2-trifluoropropoxy)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane is sourced from PubChem (CID 157400799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).