C158H134Cl11F6N27O17S — CID 159264239
N-(3-benzamido-4-chlorophenyl)-4-(piperidin-1-ylmethyl)benzamide;N-(3-benzamido-4-chlorophenyl)-4-(1,2,4-triazol-1-yl)benzamide;N-(3-benzamido-4-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-chlorobenzoyl)amino]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 159264239) has the molecular formula C158H134Cl11F6N27O17S and a molecular weight of 3219.02 g/mol. Its IUPAC name is N-(3-benzamido-4-chlorophenyl)-4-(piperidin-1-ylmethyl)benzamide;N-(3-benzamido-4-chlorophenyl)-4-(1,2,4-triazol-1-yl)benzamide;N-(3-benzamido-4-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-chlorobenzoyl)amino]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
| Compound Name | N-(3-benzamido-4-chlorophenyl)-4-(piperidin-1-ylmethyl)benzamide;N-(3-benzamido-4-chlorophenyl)-4-(1,2,4-triazol-1-yl)benzamide;N-(3-benzamido-4-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-chlorobenzoyl)amino]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 159264239 |
| Molecular Formula | C158H134Cl11F6N27O17S |
| Molecular Weight | 3219.02 g/mol |
| Exact Mass | 3211.66 |
| IUPAC Name | N-(3-benzamido-4-chlorophenyl)-4-(piperidin-1-ylmethyl)benzamide;N-(3-benzamido-4-chlorophenyl)-4-(1,2,4-triazol-1-yl)benzamide;N-(3-benzamido-4-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide;N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-6-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-[4-chloro-3-[(4-chlorobenzoyl)amino]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide;6-chloro-N-[4-chloro-3-[(2-chlorobenzoyl)amino]phenyl]pyridine-3-carboxamide;N-[4-chloro-3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide |
| SMILES | CCN1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)cn2)CC1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)n(C)n2)c1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(N2CCC(O)CC2)nc1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(-n2cncn2)cc1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(CN2CCCCC2)cc1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1.O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)nc1 |
| InChI | InChI=1S/C26H27Cl2N5O2.C26H26ClN3O2.C24H22Cl2N4O3.C22H16ClN5O2.C21H14ClF3N2O4S.C20H17ClF3N5O2.C19H12Cl3N3O2/c1-2-32-10-12-33(13-11-32)17-22-7-6-19(16-29-22)26(35)30-21-8-9-23(28)24(15-21)31-25(34)18-4-3-5-20(27)14-18;27-23-14-13-22(17-24(23)29-26(32)20-7-3-1-4-8-20)28-25(31)21-11-9-19(10-12-21)18-30-15-5-2-6-16-30;25-17-4-1-15(2-5-17)23(32)29-21-13-18(6-7-20(21)26)28-24(33)16-3-8-22(27-14-16)30-11-9-19(31)10-12-30;23-19-11-8-17(12-20(19)27-22(30)15-4-2-1-3-5-15)26-21(29)16-6-9-18(10-7-16)28-14-24-13-25-28;22-17-11-8-15(12-18(17)27-20(29)13-4-2-1-3-5-13)26-19(28)14-6-9-16(10-7-14)32(30,31)21(23,24)25;1-10-8-16(28-29(10)3)19(31)27-15-9-12(4-6-14(15)21)26-18(30)13-5-7-17(20(22,23)24)25-11(13)2;20-14-4-2-1-3-13(14)19(27)25-16-9-12(6-7-15(16)21)24-18(26)11-5-8-17(22)23-10-11/h3-9,14-16H,2,10-13,17H2,1H3,(H,30,35)(H,31,34);1,3-4,7-14,17H,2,5-6,15-16,18H2,(H,28,31)(H,29,32);1-8,13-14,19,31H,9-12H2,(H,28,33)(H,29,32);1-14H,(H,26,29)(H,27,30);1-12H,(H,26,28)(H,27,29);4-9H,1-3H3,(H,26,30)(H,27,31);1-10H,(H,24,26)(H,25,27) |
| InChIKey | KWWYHJLVZCKZHK-UHFFFAOYSA-N |
| XLogP | 35.43 |
| TPSA | 574.82 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 220 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3219.02 |
| LogP ≤ 5 | 35.43 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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