C365H338Cl9F58N33O13 — CID 157399687
N-[1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-2-cyclopentylacetamide;1-[1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide;N-[1-(5-chloro-3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-2-cyclopentylacetamide;1-[1-(5-chloro-3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;1-[1-(5-chloro-3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(3-methylphenyl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-[3-(1,1-difluoroethyl)phenyl]-1-(3-methyl-2-pyridinyl)-2-phenylethyl]-3-(4-fluorophenyl)urea;N-[1-(3,5-dimethyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane;1-(3-methylphenyl)-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-phenyl-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]ethyl]urea (PubChem CID 157399687) has the molecular formula C365H338Cl9F58N33O13 and a molecular weight of 6815.90 g/mol. Its IUPAC name is N-[1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-2-cyclopentylacetamide;1-[1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide;N-[1-(5-chloro-3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-2-cyclopentylacetamide;1-[1-(5-chloro-3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;1-[1-(5-chloro-3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(3-methylphenyl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-[3-(1,1-difluoroethyl)phenyl]-1-(3-methyl-2-pyridinyl)-2-phenylethyl]-3-(4-fluorophenyl)urea;N-[1-(3,5-dimethyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane;1-(3-methylphenyl)-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-phenyl-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]ethyl]urea.
| Compound Name | N-[1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-2-cyclopentylacetamide;1-[1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide;N-[1-(5-chloro-3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-2-cyclopentylacetamide;1-[1-(5-chloro-3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;1-[1-(5-chloro-3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(3-methylphenyl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-[3-(1,1-difluoroethyl)phenyl]-1-(3-methyl-2-pyridinyl)-2-phenylethyl]-3-(4-fluorophenyl)urea;N-[1-(3,5-dimethyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane;1-(3-methylphenyl)-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-phenyl-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]ethyl]urea |
|---|---|
| PubChem CID | 157399687 |
| Molecular Formula | C365H338Cl9F58N33O13 |
| Molecular Weight | 6815.90 g/mol |
| Exact Mass | 6807.31 |
| IUPAC Name | N-[1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-2-cyclopentylacetamide;1-[1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;N-[1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide;N-[1-(5-chloro-3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-2-cyclopentylacetamide;1-[1-(5-chloro-3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea;1-[1-(5-chloro-3-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-phenylurea;1-[1-(5-chloro-2-pyridinyl)-1-(3-methylphenyl)-2-phenylethyl]-3-propan-2-ylurea;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide;1-[1-[3-(1,1-difluoroethyl)phenyl]-1-(3-methyl-2-pyridinyl)-2-phenylethyl]-3-(4-fluorophenyl)urea;N-[1-(3,5-dimethyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane;1-(3-methylphenyl)-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]ethyl]urea;1-phenyl-3-[2-phenyl-1-[3-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]ethyl]urea |
| SMILES | C.C.C.C.C.C.CC(C)C(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ncc(C(C)(F)F)cc1Cl.CC(F)(F)c1cnc(C(Cc2ccccc2)(NC(=O)CC2CCCC2)c2cccc(C(F)(F)F)c2)c(Cl)c1.CC(F)(F)c1cnc(C(Cc2ccccc2)(NC(=O)NC2CCCC2)c2cccc(C(F)(F)F)c2)c(Cl)c1.Cc1cc(Cl)cnc1C(Cc1ccccc1)(NC(=O)CC1CCCC1)c1cccc(C(F)(F)F)c1.Cc1cc(Cl)cnc1C(Cc1ccccc1)(NC(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1.Cc1cc(Cl)cnc1C(Cc1ccccc1)(NC(=O)Nc1ccccc1)c1cccc(C(F)(F)F)c1.Cc1cccc(C(Cc2ccccc2)(NC(=O)NC(C)C)c2ccc(Cl)cn2)c1.Cc1cccc(NC(=O)NC(Cc2ccccc2)(c2cccc(C(F)(F)F)c2)c2ncccc2C(F)(F)F)c1.Cc1cccnc1C(Cc1ccccc1)(NC(=O)Nc1ccc(F)cc1)c1cccc(C(C)(F)F)c1.Cc1cnc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)c(C)c1.O=C(NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ncc(C(F)(F)F)cc1Cl)C1CC1.O=C(NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ncc(C(F)(F)F)cc1Cl)c1ccccc1.O=C(Nc1ccccc1)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ncccc1C(F)(F)F |
| InChI | InChI=1S/C30H23F7N2O.C29H28ClF5N2O.C29H23F6N3O.C29H26F3N3O.C28H19ClF6N2O.C28H27ClF5N3O.C28H23ClF3N3O.C28H28ClF3N2O.C28H21F6N3O.C27H27ClF3N3O.C26H24ClF5N2O.C25H19ClF6N2O.C24H26ClN3O.6CH4/c1-18-13-19(2)26(38-17-18)28(16-20-7-4-3-5-8-20,22-9-6-10-23(15-22)29(32,33)34)39-27(40)21-11-12-25(31)24(14-21)30(35,36)37;1-27(31,32)23-16-24(30)26(36-18-23)28(17-20-10-3-2-4-11-20,37-25(38)14-19-8-5-6-9-19)21-12-7-13-22(15-21)29(33,34)35;1-19-8-5-13-23(16-19)37-26(39)38-27(18-20-9-3-2-4-10-20,21-11-6-12-22(17-21)28(30,31)32)25-24(29(33,34)35)14-7-15-36-25;1-20-8-7-17-33-26(20)29(19-21-9-4-3-5-10-21,23-12-6-11-22(18-23)28(2,31)32)35-27(36)34-25-15-13-24(30)14-16-25;29-23-15-22(28(33,34)35)17-36-24(23)26(16-18-8-3-1-4-9-18,37-25(38)19-10-5-2-6-11-19)20-12-7-13-21(14-20)27(30,31)32;1-26(30,31)21-15-23(29)24(35-17-21)27(16-18-8-3-2-4-9-18,37-25(38)36-22-12-5-6-13-22)19-10-7-11-20(14-19)28(32,33)34;1-19-15-23(29)18-33-25(19)27(17-20-9-4-2-5-10-20,21-11-8-12-22(16-21)28(30,31)32)35-26(36)34-24-13-6-3-7-14-24;1-19-14-24(29)18-33-26(19)27(17-21-10-3-2-4-11-21,34-25(35)15-20-8-5-6-9-20)22-12-7-13-23(16-22)28(30,31)32;29-27(30,31)21-12-7-11-20(17-21)26(18-19-9-3-1-4-10-19,24-23(28(32,33)34)15-8-16-35-24)37-25(38)36-22-13-5-2-6-14-22;1-18-14-22(28)17-32-24(18)26(16-19-8-3-2-4-9-19,34-25(35)33-23-12-5-6-13-23)20-10-7-11-21(15-20)27(29,30)31;1-16(2)23(35)34-25(14-17-8-5-4-6-9-17,18-10-7-11-19(12-18)26(30,31)32)22-21(27)13-20(15-33-22)24(3,28)29;26-20-12-19(25(30,31)32)14-33-21(20)23(34-22(35)16-9-10-16,13-15-5-2-1-3-6-15)17-7-4-8-18(11-17)24(27,28)29;1-17(2)27-23(29)28-24(15-19-9-5-4-6-10-19,20-11-7-8-18(3)14-20)22-13-12-21(25)16-26-22;;;;;;/h3-15,17H,16H2,1-2H3,(H,39,40);2-4,7,10-13,15-16,18-19H,5-6,8-9,14,17H2,1H3,(H,37,38);2-17H,18H2,1H3,(H2,37,38,39);3-18H,19H2,1-2H3,(H2,34,35,36);1-15,17H,16H2,(H,37,38);2-4,7-11,14-15,17,22H,5-6,12-13,16H2,1H3,(H2,36,37,38);2-16,18H,17H2,1H3,(H2,34,35,36);2-4,7,10-14,16,18,20H,5-6,8-9,15,17H2,1H3,(H,34,35);1-17H,18H2,(H2,36,37,38);2-4,7-11,14-15,17,23H,5-6,12-13,16H2,1H3,(H2,33,34,35);4-13,15-16H,14H2,1-3H3,(H,34,35);1-8,11-12,14,16H,9-10,13H2,(H,34,35);4-14,16-17H,15H2,1-3H3,(H2,27,28,29);6*1H4 |
| InChIKey | BMZQAIADTWCPNJ-UHFFFAOYSA-N |
| XLogP | 97.60 |
| TPSA | 630.08 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 84 |
| Heavy Atoms | 478 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6815.90 |
| LogP ≤ 5 | 97.60 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 26 |