C187H198Cl2F9N17O9 — CID 157444149
N-[(6-chloro-3-pyridinyl)methyl]-3-cyclohexyl-5-(4-methylphenyl)benzamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-cyclohexyl-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1S)-2-hydroxy-1-(2-methylpyrimidin-5-yl)ethyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(2-methoxypyrimidin-5-yl)methyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide (PubChem CID 157444149) has the molecular formula C187H198Cl2F9N17O9 and a molecular weight of 3069.64 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-3-cyclohexyl-5-(4-methylphenyl)benzamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-cyclohexyl-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1S)-2-hydroxy-1-(2-methylpyrimidin-5-yl)ethyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(2-methoxypyrimidin-5-yl)methyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide.
| Compound Name | N-[(6-chloro-3-pyridinyl)methyl]-3-cyclohexyl-5-(4-methylphenyl)benzamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-cyclohexyl-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1S)-2-hydroxy-1-(2-methylpyrimidin-5-yl)ethyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(2-methoxypyrimidin-5-yl)methyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide |
|---|---|
| PubChem CID | 157444149 |
| Molecular Formula | C187H198Cl2F9N17O9 |
| Molecular Weight | 3069.64 g/mol |
| Exact Mass | 3066.48 |
| IUPAC Name | N-[(6-chloro-3-pyridinyl)methyl]-3-cyclohexyl-5-(4-methylphenyl)benzamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-cyclohexyl-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1S)-2-hydroxy-1-(2-methylpyrimidin-5-yl)ethyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(2-methoxypyrimidin-5-yl)methyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide |
| SMILES | COc1ncc(CNC(=O)c2cc(-c3ccc(C)cc3)cc(C3CCCCC3)c2)cn1.Cc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(C3CCCCC3)c2)cc1.Cc1ccc(-c2cc(C(=O)NCc3ccc(C(F)(F)F)nc3)cc(C3CCCCC3)c2)cc1.Cc1ccc(-c2cc(C(=O)NCc3ccc(Cl)nc3)cc(C3CCCCC3)c2)cc1.Cc1ccc(-c2cc(C(=O)NCc3ncc(C(F)(F)F)cc3Cl)cc(C3CCCCC3)c2)cc1.Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)nc3)cc(C3CCCCC3)c2)cc1.Cc1ccc(-c2cc(C(=O)N[C@H](CO)c3cnc(C)nc3)cc(C3CCCCC3)c2)cc1 |
| InChI | InChI=1S/C28H29F3N2O.C27H26ClF3N2O.C27H27F3N2O.C27H31N3O2.C26H27ClN2O.C26H29N3O2.C26H29N3O/c1-18-8-10-21(11-9-18)24-14-23(20-6-4-3-5-7-20)15-25(16-24)27(34)33-19(2)22-12-13-26(32-17-22)28(29,30)31;1-17-7-9-19(10-8-17)21-11-20(18-5-3-2-4-6-18)12-22(13-21)26(34)33-16-25-24(28)14-23(15-32-25)27(29,30)31;1-18-7-10-21(11-8-18)23-13-22(20-5-3-2-4-6-20)14-24(15-23)26(33)32-17-19-9-12-25(31-16-19)27(28,29)30;1-18-8-10-21(11-9-18)23-12-22(20-6-4-3-5-7-20)13-24(14-23)27(32)30-26(17-31)25-15-28-19(2)29-16-25;1-18-7-10-21(11-8-18)23-13-22(20-5-3-2-4-6-20)14-24(15-23)26(30)29-17-19-9-12-25(27)28-16-19;1-18-8-10-21(11-9-18)23-12-22(20-6-4-3-5-7-20)13-24(14-23)25(30)27-15-19-16-28-26(31-2)29-17-19;1-18-8-10-21(11-9-18)23-14-22(20-6-4-3-5-7-20)15-24(16-23)26(30)29-19(2)25-17-27-12-13-28-25/h8-17,19-20H,3-7H2,1-2H3,(H,33,34);7-15,18H,2-6,16H2,1H3,(H,33,34);7-16,20H,2-6,17H2,1H3,(H,32,33);8-16,20,26,31H,3-7,17H2,1-2H3,(H,30,32);7-16,20H,2-6,17H2,1H3,(H,29,30);8-14,16-17,20H,3-7,15H2,1-2H3,(H,27,30);8-17,19-20H,3-7H2,1-2H3,(H,29,30)/t19-;;;26-;;;/m1..1.../s1 |
| InChIKey | BSAGANBXGGQBCB-OPUYKGLCSA-N |
| XLogP | 45.76 |
| TPSA | 362.06 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 224 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3069.64 |
| LogP ≤ 5 | 45.76 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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