N-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane

C305H265Cl11F54N30O25 — CID 159152510

IUPACN-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane
SMILESC.C.C.C.C.C.C.C.CC(C)NC(=O)N[C@@](Cc1ccccc1)(c1ccc(Cl)cn1)c1cccc2c1OC(F)(F)O2.CC(C)NC(=O)N[C@](Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccc(Cl)cn1.CC(F)(F)c1cc(C(=O)N[C@@](Cc2ccccc2)(c2ccc(Cl)cn2)c2cccc(C(F)(F)F)c2F)ccc1F.CC(F)(F)c1cc(C(=O)N[C@@](Cc2ccccc2)(c2ccc(Cl)cn2)c2cccc3c2OC(F)(F)O3)ccc1F.Cc1ccc(C(=O)N[C@](Cc2ccccc2)(c2cc(F)cc(OCC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)cc1C(F)(F)F.O=C(C[C@](NC(=O)Nc1cccc(F)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)Nc1ccccc1.O=C(NC1CCCC1)N[C@](Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccc(Cl)cn1.O=C(N[C@@](Cc1ccccc1)(c1ccc(Cl)cn1)c1cccc(C(F)(F)F)c1F)C1CC1.O=C(N[C@@](Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccc(Cl)cn1)C1CC1.O=C(Nc1cccc(F)c1)N[C@@](CC(=O)N1CCCC1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.O=C(Nc1cccc(F)c1)N[C@](Cc1ccccc1)(c1cc(F)cc(OCC(F)(F)C(F)F)c1)c1ccc(Cl)cn1
InChIInChI=1S/C31H23ClF8N2O2.C29H20ClF7N2O.C29H22ClF6N3O2.C29H20ClF5N2O3.C28H20ClF5N4O2.C27H24ClF4N3O3.C26H22ClF5N4O2.C25H22ClF4N3O3.C25H19ClF4N2O3.C24H19ClF4N2O.C24H22ClF2N3O3.8CH4/c1-18-7-8-20(11-25(18)31(38,39)40)27(43)42-29(15-19-5-3-2-4-6-19,26-10-9-22(32)16-41-26)21-12-23(33)14-24(13-21)44-17-30(36,37)28(34)35;1-27(33,34)22-14-18(10-12-23(22)31)26(40)39-28(15-17-6-3-2-4-7-17,24-13-11-19(30)16-38-24)20-8-5-9-21(25(20)32)29(35,36)37;30-20-9-10-25(37-16-20)28(15-18-5-2-1-3-6-18,39-27(40)38-23-8-4-7-21(31)13-23)19-11-22(32)14-24(12-19)41-17-29(35,36)26(33)34;1-27(32,33)21-14-18(10-12-22(21)31)26(38)37-28(15-17-6-3-2-4-7-17,24-13-11-19(30)16-36-24)20-8-5-9-23-25(20)40-29(34,35)39-23;29-19-9-10-24(35-16-19)27(15-25(39)36-22-6-2-1-3-7-22,17-11-18(28(32,33)34)13-21(31)12-17)38-26(40)37-23-8-4-5-20(30)14-23;28-19-11-13-23(33-16-19)25(15-17-6-2-1-3-7-17,35-24(36)34-20-8-4-5-9-20)18-10-12-21-22(14-18)38-27(31,32)26(29,30)37-21;27-18-6-7-22(33-15-18)25(14-23(37)36-8-1-2-9-36,16-10-17(26(30,31)32)12-20(29)11-16)35-24(38)34-21-5-3-4-19(28)13-21;1-15(2)32-22(34)33-23(13-16-6-4-3-5-7-16,21-11-9-18(26)14-31-21)17-8-10-19-20(12-17)36-25(29,30)24(27,28)35-19;26-18-9-11-21(31-14-18)23(32-22(33)16-6-7-16,13-15-4-2-1-3-5-15)17-8-10-19-20(12-17)35-25(29,30)24(27,28)34-19;25-17-11-12-20(30-14-17)23(31-22(32)16-9-10-16,13-15-5-2-1-3-6-15)18-7-4-8-19(21(18)26)24(27,28)29;1-15(2)29-22(31)30-23(13-16-7-4-3-5-8-16,20-12-11-17(25)14-28-20)18-9-6-10-19-21(18)33-24(26,27)32-19;;;;;;;;/h2-14,16,28H,15,17H2,1H3,(H,42,43);2-14,16H,15H2,1H3,(H,39,40);1-14,16,26H,15,17H2,(H2,38,39,40);2-14,16H,15H2,1H3,(H,37,38);1-14,16H,15H2,(H,36,39)(H2,37,38,40);1-3,6-7,10-14,16,20H,4-5,8-9,15H2,(H2,34,35,36);3-7,10-13,15H,1-2,8-9,14H2,(H2,34,35,38);3-12,14-15H,13H2,1-2H3,(H2,32,33,34);1-5,8-12,14,16H,6-7,13H2,(H,32,33);1-8,11-12,14,16H,9-10,13H2,(H,31,32);3-12,14-15H,13H2,1-2H3,(H2,29,30,31);8*1H4/t29-;3*28-;27-;2*25-;4*23-;;;;;;;;/m11110101011......../s1
InChIKeyKJMDXEIJBNTXJL-FPLDWYNCSA-N
MW6166.54 g/mol
LogP78.77
Rot. Bonds77

About N-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane

N-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane (PubChem CID 159152510) has the molecular formula C305H265Cl11F54N30O25 and a molecular weight of 6166.54 g/mol. Its IUPAC name is N-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane.

Molecular Properties

Compound NameN-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane
PubChem CID159152510
Molecular FormulaC305H265Cl11F54N30O25
Molecular Weight6166.54 g/mol
Exact Mass6157.61
IUPAC NameN-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane
SMILESC.C.C.C.C.C.C.C.CC(C)NC(=O)N[C@@](Cc1ccccc1)(c1ccc(Cl)cn1)c1cccc2c1OC(F)(F)O2.CC(C)NC(=O)N[C@](Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccc(Cl)cn1.CC(F)(F)c1cc(C(=O)N[C@@](Cc2ccccc2)(c2ccc(Cl)cn2)c2cccc(C(F)(F)F)c2F)ccc1F.CC(F)(F)c1cc(C(=O)N[C@@](Cc2ccccc2)(c2ccc(Cl)cn2)c2cccc3c2OC(F)(F)O3)ccc1F.Cc1ccc(C(=O)N[C@](Cc2ccccc2)(c2cc(F)cc(OCC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)cc1C(F)(F)F.O=C(C[C@](NC(=O)Nc1cccc(F)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)Nc1ccccc1.O=C(NC1CCCC1)N[C@](Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccc(Cl)cn1.O=C(N[C@@](Cc1ccccc1)(c1ccc(Cl)cn1)c1cccc(C(F)(F)F)c1F)C1CC1.O=C(N[C@@](Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccc(Cl)cn1)C1CC1.O=C(Nc1cccc(F)c1)N[C@@](CC(=O)N1CCCC1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.O=C(Nc1cccc(F)c1)N[C@](Cc1ccccc1)(c1cc(F)cc(OCC(F)(F)C(F)F)c1)c1ccc(Cl)cn1
InChIInChI=1S/C31H23ClF8N2O2.C29H20ClF7N2O.C29H22ClF6N3O2.C29H20ClF5N2O3.C28H20ClF5N4O2.C27H24ClF4N3O3.C26H22ClF5N4O2.C25H22ClF4N3O3.C25H19ClF4N2O3.C24H19ClF4N2O.C24H22ClF2N3O3.8CH4/c1-18-7-8-20(11-25(18)31(38,39)40)27(43)42-29(15-19-5-3-2-4-6-19,26-10-9-22(32)16-41-26)21-12-23(33)14-24(13-21)44-17-30(36,37)28(34)35;1-27(33,34)22-14-18(10-12-23(22)31)26(40)39-28(15-17-6-3-2-4-7-17,24-13-11-19(30)16-38-24)20-8-5-9-21(25(20)32)29(35,36)37;30-20-9-10-25(37-16-20)28(15-18-5-2-1-3-6-18,39-27(40)38-23-8-4-7-21(31)13-23)19-11-22(32)14-24(12-19)41-17-29(35,36)26(33)34;1-27(32,33)21-14-18(10-12-22(21)31)26(38)37-28(15-17-6-3-2-4-7-17,24-13-11-19(30)16-36-24)20-8-5-9-23-25(20)40-29(34,35)39-23;29-19-9-10-24(35-16-19)27(15-25(39)36-22-6-2-1-3-7-22,17-11-18(28(32,33)34)13-21(31)12-17)38-26(40)37-23-8-4-5-20(30)14-23;28-19-11-13-23(33-16-19)25(15-17-6-2-1-3-7-17,35-24(36)34-20-8-4-5-9-20)18-10-12-21-22(14-18)38-27(31,32)26(29,30)37-21;27-18-6-7-22(33-15-18)25(14-23(37)36-8-1-2-9-36,16-10-17(26(30,31)32)12-20(29)11-16)35-24(38)34-21-5-3-4-19(28)13-21;1-15(2)32-22(34)33-23(13-16-6-4-3-5-7-16,21-11-9-18(26)14-31-21)17-8-10-19-20(12-17)36-25(29,30)24(27,28)35-19;26-18-9-11-21(31-14-18)23(32-22(33)16-6-7-16,13-15-4-2-1-3-5-15)17-8-10-19-20(12-17)35-25(29,30)24(27,28)34-19;25-17-11-12-20(30-14-17)23(31-22(32)16-9-10-16,13-15-5-2-1-3-6-15)18-7-4-8-19(21(18)26)24(27,28)29;1-15(2)29-22(31)30-23(13-16-7-4-3-5-8-16,20-12-11-17(25)14-28-20)18-9-6-10-19-21(18)33-24(26,27)32-19;;;;;;;;/h2-14,16,28H,15,17H2,1H3,(H,42,43);2-14,16H,15H2,1H3,(H,39,40);1-14,16,26H,15,17H2,(H2,38,39,40);2-14,16H,15H2,1H3,(H,37,38);1-14,16H,15H2,(H,36,39)(H2,37,38,40);1-3,6-7,10-14,16,20H,4-5,8-9,15H2,(H2,34,35,36);3-7,10-13,15H,1-2,8-9,14H2,(H2,34,35,38);3-12,14-15H,13H2,1-2H3,(H2,32,33,34);1-5,8-12,14,16H,6-7,13H2,(H,32,33);1-8,11-12,14,16H,9-10,13H2,(H,31,32);3-12,14-15H,13H2,1-2H3,(H2,29,30,31);8*1H4/t29-;3*28-;27-;2*25-;4*23-;;;;;;;;/m11110101011......../s1
InChIKeyKJMDXEIJBNTXJL-FPLDWYNCSA-N
XLogP78.77
TPSA694.24 Ų
H-Bond Donors18
H-Bond Acceptors36
Rotatable Bonds77
Heavy Atoms425
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006166.54
LogP ≤ 578.77
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1036

Analyze N-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane?
The IUPAC name of N-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane (CID 159152510) is N-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane.
What is the SMILES notation for N-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane?
The canonical SMILES for N-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane is C.C.C.C.C.C.C.C.CC(C)NC(=O)N[C@@](Cc1ccccc1)(c1ccc(Cl)cn1)c1cccc2c1OC(F)(F)O2.CC(C)NC(=O)N[C@](Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccc(Cl)cn1.CC(F)(F)c1cc(C(=O)N[C@@](Cc2ccccc2)(c2ccc(Cl)cn2)c2cccc(C(F)(F)F)c2F)ccc1F.CC(F)(F)c1cc(C(=O)N[C@@](Cc2ccccc2)(c2ccc(Cl)cn2)c2cccc3c2OC(F)(F)O3)ccc1F.Cc1ccc(C(=O)N[C@](Cc2ccccc2)(c2cc(F)cc(OCC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)cc1C(F)(F)F.O=C(C[C@](NC(=O)Nc1cccc(F)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)Nc1ccccc1.O=C(NC1CCCC1)N[C@](Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccc(Cl)cn1.O=C(N[C@@](Cc1ccccc1)(c1ccc(Cl)cn1)c1cccc(C(F)(F)F)c1F)C1CC1.O=C(N[C@@](Cc1ccccc1)(c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccc(Cl)cn1)C1CC1.O=C(Nc1cccc(F)c1)N[C@@](CC(=O)N1CCCC1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.O=C(Nc1cccc(F)c1)N[C@](Cc1ccccc1)(c1cc(F)cc(OCC(F)(F)C(F)F)c1)c1ccc(Cl)cn1.
What is the InChIKey of N-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane?
The InChIKey is KJMDXEIJBNTXJL-FPLDWYNCSA-N. The full InChI is InChI=1S/C31H23ClF8N2O2.C29H20ClF7N2O.C29H22ClF6N3O2.C29H20ClF5N2O3.C28H20ClF5N4O2.C27H24ClF4N3O3.C26H22ClF5N4O2.C25H22ClF4N3O3.C25H19ClF4N2O3.C24H19ClF4N2O.C24H22ClF2N3O3.8CH4/c1-18-7-8-20(11-25(18)31(38,39)40)27(43)42-29(15-19-5-3-2-4-6-19,26-10-9-22(32)16-41-26)21-12-23(33)14-24(13-21)44-17-30(36,37)28(34)35;1-27(33,34)22-14-18(10-12-23(22)31)26(40)39-28(15-17-6-3-2-4-7-17,24-13-11-19(30)16-38-24)20-8-5-9-21(25(20)32)29(35,36)37;30-20-9-10-25(37-16-20)28(15-18-5-2-1-3-6-18,39-27(40)38-23-8-4-7-21(31)13-23)19-11-22(32)14-24(12-19)41-17-29(35,36)26(33)34;1-27(32,33)21-14-18(10-12-22(21)31)26(38)37-28(15-17-6-3-2-4-7-17,24-13-11-19(30)16-36-24)20-8-5-9-23-25(20)40-29(34,35)39-23;29-19-9-10-24(35-16-19)27(15-25(39)36-22-6-2-1-3-7-22,17-11-18(28(32,33)34)13-21(31)12-17)38-26(40)37-23-8-4-5-20(30)14-23;28-19-11-13-23(33-16-19)25(15-17-6-2-1-3-7-17,35-24(36)34-20-8-4-5-9-20)18-10-12-21-22(14-18)38-27(31,32)26(29,30)37-21;27-18-6-7-22(33-15-18)25(14-23(37)36-8-1-2-9-36,16-10-17(26(30,31)32)12-20(29)11-16)35-24(38)34-21-5-3-4-19(28)13-21;1-15(2)32-22(34)33-23(13-16-6-4-3-5-7-16,21-11-9-18(26)14-31-21)17-8-10-19-20(12-17)36-25(29,30)24(27,28)35-19;26-18-9-11-21(31-14-18)23(32-22(33)16-6-7-16,13-15-4-2-1-3-5-15)17-8-10-19-20(12-17)35-25(29,30)24(27,28)34-19;25-17-11-12-20(30-14-17)23(31-22(32)16-9-10-16,13-15-5-2-1-3-6-15)18-7-4-8-19(21(18)26)24(27,28)29;1-15(2)29-22(31)30-23(13-16-7-4-3-5-8-16,20-12-11-17(25)14-28-20)18-9-6-10-19-21(18)33-24(26,27)32-19;;;;;;;;/h2-14,16,28H,15,17H2,1H3,(H,42,43);2-14,16H,15H2,1H3,(H,39,40);1-14,16,26H,15,17H2,(H2,38,39,40);2-14,16H,15H2,1H3,(H,37,38);1-14,16H,15H2,(H,36,39)(H2,37,38,40);1-3,6-7,10-14,16,20H,4-5,8-9,15H2,(H2,34,35,36);3-7,10-13,15H,1-2,8-9,14H2,(H2,34,35,38);3-12,14-15H,13H2,1-2H3,(H2,32,33,34);1-5,8-12,14,16H,6-7,13H2,(H,32,33);1-8,11-12,14,16H,9-10,13H2,(H,31,32);3-12,14-15H,13H2,1-2H3,(H2,29,30,31);8*1H4/t29-;3*28-;27-;2*25-;4*23-;;;;;;;;/m11110101011......../s1.
What are the key properties of N-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane?
N-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane has a molecular weight of 6166.54 g/mol, XLogP of 78.77, 77 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-4-yl)-2-phenylethyl]-3-propan-2-ylurea;(3S)-3-(5-chloro-2-pyridinyl)-3-[(3-fluorophenyl)carbamoylamino]-3-[3-fluoro-5-(trifluoromethyl)phenyl]-N-phenylpropanamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(3-fluorophenyl)urea;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]cyclopropanecarboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-cyclopentylurea;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]cyclopropanecarboxamide;1-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-ylurea;methane is sourced from PubChem (CID 159152510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).