1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea

C257H227Cl2F42N23O10 — CID 157277686

IUPAC1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea
SMILESC.C.Cc1ccc(C(Cc2ccccc2)(NC(=O)C2CC2)c2cccc(C(F)(F)F)c2)nc1.Cc1ccc(C(Cc2ccccc2)(NC(=O)CCC(C)C)c2cccc(C(F)(F)F)c2)nc1.Cc1ccc(C(Cc2ccccc2)(NC(=O)Nc2ccc(C)c(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)nc1.Cc1ccc(C(Cc2ccccc2)(NC(=O)Nc2ccc(C)c(Cl)c2)c2cccc(C(F)(F)F)c2)nc1.Cc1ccc(NC(=O)NC(Cc2ccccc2)(c2cccc(C(F)(F)F)c2)c2ccc(C(F)(F)F)cn2)cc1C(F)(F)F.Cc1ccnc(C(Cc2ccccc2)(NC(=O)C2CC2)c2cccc(C(C)(F)F)c2)c1.Cc1ccnc(C(Cc2ccccc2)(NC(=O)Nc2ccc(C)c(Cl)c2)c2cccc(C(F)(F)F)c2)c1.Cc1ccnc(C(Cc2ccccc2)(NC(=O)c2ccccc2)c2cccc(C(F)(F)F)c2)c1.O=C(Nc1ccc2c(c1)C(F)(F)CC(F)(F)O2)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C31H21F10N3O2.C30H22F9N3O.C30H25F6N3O.2C29H25ClF3N3O.C28H23F3N2O.C27H29F3N2O.C26H26F2N2O.C25H23F3N2O.2CH4/c32-28(33)17-29(34,35)46-24-11-10-22(14-23(24)28)43-26(45)44-27(15-18-5-2-1-3-6-18,19-7-4-8-20(13-19)30(36,37)38)25-12-9-21(16-42-25)31(39,40)41;1-18-10-12-23(15-24(18)30(37,38)39)41-26(43)42-27(16-19-6-3-2-4-7-19,20-8-5-9-21(14-20)28(31,32)33)25-13-11-22(17-40-25)29(34,35)36;1-19-11-14-26(37-18-19)28(17-21-7-4-3-5-8-21,22-9-6-10-23(15-22)29(31,32)33)39-27(40)38-24-13-12-20(2)25(16-24)30(34,35)36;1-19-11-14-26(34-18-19)28(17-21-7-4-3-5-8-21,22-9-6-10-23(15-22)29(31,32)33)36-27(37)35-24-13-12-20(2)25(30)16-24;1-19-13-14-34-26(15-19)28(18-21-7-4-3-5-8-21,22-9-6-10-23(16-22)29(31,32)33)36-27(37)35-24-12-11-20(2)25(30)17-24;1-20-15-16-32-25(17-20)27(19-21-9-4-2-5-10-21,33-26(34)22-11-6-3-7-12-22)23-13-8-14-24(18-23)28(29,30)31;1-19(2)12-15-25(33)32-26(17-21-8-5-4-6-9-21,24-14-13-20(3)18-31-24)22-10-7-11-23(16-22)27(28,29)30;1-18-13-14-29-23(15-18)26(30-24(31)20-11-12-20,17-19-7-4-3-5-8-19)22-10-6-9-21(16-22)25(2,27)28;1-17-10-13-22(29-16-17)24(30-23(31)19-11-12-19,15-18-6-3-2-4-7-18)20-8-5-9-21(14-20)25(26,27)28;;/h1-14,16H,15,17H2,(H2,43,44,45);2-15,17H,16H2,1H3,(H2,41,42,43);3-16,18H,17H2,1-2H3,(H2,38,39,40);3-16,18H,17H2,1-2H3,(H2,35,36,37);3-17H,18H2,1-2H3,(H2,35,36,37);2-18H,19H2,1H3,(H,33,34);4-11,13-14,16,18-19H,12,15,17H2,1-3H3,(H,32,33);3-10,13-16,20H,11-12,17H2,1-2H3,(H,30,31);2-10,13-14,16,19H,11-12,15H2,1H3,(H,30,31);2*1H4
InChIKeyAZHICSDESDGKHX-UHFFFAOYSA-N
MW4666.62 g/mol
LogP66.03
Rot. Bonds57

About 1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea

1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea (PubChem CID 157277686) has the molecular formula C257H227Cl2F42N23O10 and a molecular weight of 4666.62 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea
PubChem CID157277686
Molecular FormulaC257H227Cl2F42N23O10
Molecular Weight4666.62 g/mol
Exact Mass4662.67
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea
SMILESC.C.Cc1ccc(C(Cc2ccccc2)(NC(=O)C2CC2)c2cccc(C(F)(F)F)c2)nc1.Cc1ccc(C(Cc2ccccc2)(NC(=O)CCC(C)C)c2cccc(C(F)(F)F)c2)nc1.Cc1ccc(C(Cc2ccccc2)(NC(=O)Nc2ccc(C)c(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)nc1.Cc1ccc(C(Cc2ccccc2)(NC(=O)Nc2ccc(C)c(Cl)c2)c2cccc(C(F)(F)F)c2)nc1.Cc1ccc(NC(=O)NC(Cc2ccccc2)(c2cccc(C(F)(F)F)c2)c2ccc(C(F)(F)F)cn2)cc1C(F)(F)F.Cc1ccnc(C(Cc2ccccc2)(NC(=O)C2CC2)c2cccc(C(C)(F)F)c2)c1.Cc1ccnc(C(Cc2ccccc2)(NC(=O)Nc2ccc(C)c(Cl)c2)c2cccc(C(F)(F)F)c2)c1.Cc1ccnc(C(Cc2ccccc2)(NC(=O)c2ccccc2)c2cccc(C(F)(F)F)c2)c1.O=C(Nc1ccc2c(c1)C(F)(F)CC(F)(F)O2)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C31H21F10N3O2.C30H22F9N3O.C30H25F6N3O.2C29H25ClF3N3O.C28H23F3N2O.C27H29F3N2O.C26H26F2N2O.C25H23F3N2O.2CH4/c32-28(33)17-29(34,35)46-24-11-10-22(14-23(24)28)43-26(45)44-27(15-18-5-2-1-3-6-18,19-7-4-8-20(13-19)30(36,37)38)25-12-9-21(16-42-25)31(39,40)41;1-18-10-12-23(15-24(18)30(37,38)39)41-26(43)42-27(16-19-6-3-2-4-7-19,20-8-5-9-21(14-20)28(31,32)33)25-13-11-22(17-40-25)29(34,35)36;1-19-11-14-26(37-18-19)28(17-21-7-4-3-5-8-21,22-9-6-10-23(15-22)29(31,32)33)39-27(40)38-24-13-12-20(2)25(16-24)30(34,35)36;1-19-11-14-26(34-18-19)28(17-21-7-4-3-5-8-21,22-9-6-10-23(15-22)29(31,32)33)36-27(37)35-24-13-12-20(2)25(30)16-24;1-19-13-14-34-26(15-19)28(18-21-7-4-3-5-8-21,22-9-6-10-23(16-22)29(31,32)33)36-27(37)35-24-12-11-20(2)25(30)17-24;1-20-15-16-32-25(17-20)27(19-21-9-4-2-5-10-21,33-26(34)22-11-6-3-7-12-22)23-13-8-14-24(18-23)28(29,30)31;1-19(2)12-15-25(33)32-26(17-21-8-5-4-6-9-21,24-14-13-20(3)18-31-24)22-10-7-11-23(16-22)27(28,29)30;1-18-13-14-29-23(15-18)26(30-24(31)20-11-12-20,17-19-7-4-3-5-8-19)22-10-6-9-21(16-22)25(2,27)28;1-17-10-13-22(29-16-17)24(30-23(31)19-11-12-19,15-18-6-3-2-4-7-18)20-8-5-9-21(14-20)25(26,27)28;;/h1-14,16H,15,17H2,(H2,43,44,45);2-15,17H,16H2,1H3,(H2,41,42,43);3-16,18H,17H2,1-2H3,(H2,38,39,40);3-16,18H,17H2,1-2H3,(H2,35,36,37);3-17H,18H2,1-2H3,(H2,35,36,37);2-18H,19H2,1H3,(H,33,34);4-11,13-14,16,18-19H,12,15,17H2,1-3H3,(H,32,33);3-10,13-16,20H,11-12,17H2,1-2H3,(H,30,31);2-10,13-14,16,19H,11-12,15H2,1H3,(H,30,31);2*1H4
InChIKeyAZHICSDESDGKHX-UHFFFAOYSA-N
XLogP66.03
TPSA447.29 Ų
H-Bond Donors14
H-Bond Acceptors19
Rotatable Bonds57
Heavy Atoms334
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004666.62
LogP ≤ 566.03
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1019

Analyze 1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea (CID 157277686) is 1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea is C.C.Cc1ccc(C(Cc2ccccc2)(NC(=O)C2CC2)c2cccc(C(F)(F)F)c2)nc1.Cc1ccc(C(Cc2ccccc2)(NC(=O)CCC(C)C)c2cccc(C(F)(F)F)c2)nc1.Cc1ccc(C(Cc2ccccc2)(NC(=O)Nc2ccc(C)c(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)nc1.Cc1ccc(C(Cc2ccccc2)(NC(=O)Nc2ccc(C)c(Cl)c2)c2cccc(C(F)(F)F)c2)nc1.Cc1ccc(NC(=O)NC(Cc2ccccc2)(c2cccc(C(F)(F)F)c2)c2ccc(C(F)(F)F)cn2)cc1C(F)(F)F.Cc1ccnc(C(Cc2ccccc2)(NC(=O)C2CC2)c2cccc(C(C)(F)F)c2)c1.Cc1ccnc(C(Cc2ccccc2)(NC(=O)Nc2ccc(C)c(Cl)c2)c2cccc(C(F)(F)F)c2)c1.Cc1ccnc(C(Cc2ccccc2)(NC(=O)c2ccccc2)c2cccc(C(F)(F)F)c2)c1.O=C(Nc1ccc2c(c1)C(F)(F)CC(F)(F)O2)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea?
The InChIKey is AZHICSDESDGKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21F10N3O2.C30H22F9N3O.C30H25F6N3O.2C29H25ClF3N3O.C28H23F3N2O.C27H29F3N2O.C26H26F2N2O.C25H23F3N2O.2CH4/c32-28(33)17-29(34,35)46-24-11-10-22(14-23(24)28)43-26(45)44-27(15-18-5-2-1-3-6-18,19-7-4-8-20(13-19)30(36,37)38)25-12-9-21(16-42-25)31(39,40)41;1-18-10-12-23(15-24(18)30(37,38)39)41-26(43)42-27(16-19-6-3-2-4-7-19,20-8-5-9-21(14-20)28(31,32)33)25-13-11-22(17-40-25)29(34,35)36;1-19-11-14-26(37-18-19)28(17-21-7-4-3-5-8-21,22-9-6-10-23(15-22)29(31,32)33)39-27(40)38-24-13-12-20(2)25(16-24)30(34,35)36;1-19-11-14-26(34-18-19)28(17-21-7-4-3-5-8-21,22-9-6-10-23(15-22)29(31,32)33)36-27(37)35-24-13-12-20(2)25(30)16-24;1-19-13-14-34-26(15-19)28(18-21-7-4-3-5-8-21,22-9-6-10-23(16-22)29(31,32)33)36-27(37)35-24-12-11-20(2)25(30)17-24;1-20-15-16-32-25(17-20)27(19-21-9-4-2-5-10-21,33-26(34)22-11-6-3-7-12-22)23-13-8-14-24(18-23)28(29,30)31;1-19(2)12-15-25(33)32-26(17-21-8-5-4-6-9-21,24-14-13-20(3)18-31-24)22-10-7-11-23(16-22)27(28,29)30;1-18-13-14-29-23(15-18)26(30-24(31)20-11-12-20,17-19-7-4-3-5-8-19)22-10-6-9-21(16-22)25(2,27)28;1-17-10-13-22(29-16-17)24(30-23(31)19-11-12-19,15-18-6-3-2-4-7-18)20-8-5-9-21(14-20)25(26,27)28;;/h1-14,16H,15,17H2,(H2,43,44,45);2-15,17H,16H2,1H3,(H2,41,42,43);3-16,18H,17H2,1-2H3,(H2,38,39,40);3-16,18H,17H2,1-2H3,(H2,35,36,37);3-17H,18H2,1-2H3,(H2,35,36,37);2-18H,19H2,1H3,(H,33,34);4-11,13-14,16,18-19H,12,15,17H2,1-3H3,(H,32,33);3-10,13-16,20H,11-12,17H2,1-2H3,(H,30,31);2-10,13-14,16,19H,11-12,15H2,1H3,(H,30,31);2*1H4.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea?
1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea has a molecular weight of 4666.62 g/mol, XLogP of 66.03, 57 rotatable bonds, 14 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;1-(3-chloro-4-methylphenyl)-3-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea;N-[1-[3-(1,1-difluoroethyl)phenyl]-1-(4-methyl-2-pyridinyl)-2-phenylethyl]cyclopropanecarboxamide;methane;4-methyl-N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide;N-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-(5-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(2,2,4,4-tetrafluoro-3H-chromen-6-yl)urea is sourced from PubChem (CID 157277686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).