C181H209F6N13O11 — CID 158032451
3-cyclohexyl-N-(cyclopropylmethyl)-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1S)-2-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(2R)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide (PubChem CID 158032451) has the molecular formula C181H209F6N13O11 and a molecular weight of 2856.73 g/mol. Its IUPAC name is 3-cyclohexyl-N-(cyclopropylmethyl)-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1S)-2-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(2R)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide.
| Compound Name | 3-cyclohexyl-N-(cyclopropylmethyl)-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1S)-2-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(2R)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide |
|---|---|
| PubChem CID | 158032451 |
| Molecular Formula | C181H209F6N13O11 |
| Molecular Weight | 2856.73 g/mol |
| Exact Mass | 2854.61 |
| IUPAC Name | 3-cyclohexyl-N-(cyclopropylmethyl)-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1S)-2-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-N-[(2R)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide;3-cyclohexyl-5-(4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]benzamide |
| SMILES | COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(C2CCCCC2)c1.Cc1ccc(-c2cc(C(=O)NCC3CC3)cc(C3CCCCC3)c2)cc1.Cc1ccc(-c2cc(C(=O)NCc3cnc(C)nc3)cc(C3CCCCC3)c2)cc1.Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(C3CCCCC3)c2)cc1.Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnc(C)nc3)cc(C3CCCCC3)c2)cc1.Cc1ccc(-c2cc(C(=O)N[C@H](CCO)c3ccc(C(F)(F)F)nc3)cc(C3CCCCC3)c2)cc1.Cc1ccc(-c2cc(C(=O)N[C@H](CO)c3ccc(C(F)(F)F)nc3)cc(C3CCCCC3)c2)cc1 |
| InChI | InChI=1S/C29H31F3N2O2.C28H29F3N2O2.C27H31N3O.C26H29N3O.C24H31NO2.C24H29NO.C23H29NO2/c1-19-7-9-21(10-8-19)24-15-23(20-5-3-2-4-6-20)16-25(17-24)28(36)34-26(13-14-35)22-11-12-27(33-18-22)29(30,31)32;1-18-7-9-20(10-8-18)23-13-22(19-5-3-2-4-6-19)14-24(15-23)27(35)33-25(17-34)21-11-12-26(32-16-21)28(29,30)31;1-18-9-11-22(12-10-18)24-13-23(21-7-5-4-6-8-21)14-25(15-24)27(31)30-19(2)26-16-28-20(3)29-17-26;1-18-8-10-22(11-9-18)24-12-23(21-6-4-3-5-7-21)13-25(14-24)26(30)29-17-20-15-27-19(2)28-16-20;1-17-9-11-20(12-10-17)22-13-21(19-7-5-4-6-8-19)14-23(15-22)24(26)25-18(2)16-27-3;1-17-7-11-20(12-8-17)22-13-21(19-5-3-2-4-6-19)14-23(15-22)24(26)25-16-18-9-10-18;1-16-8-10-19(11-9-16)21-12-20(18-6-4-3-5-7-18)13-22(14-21)23(26)24-17(2)15-25/h7-12,15-18,20,26,35H,2-6,13-14H2,1H3,(H,34,36);7-16,19,25,34H,2-6,17H2,1H3,(H,33,35);9-17,19,21H,4-8H2,1-3H3,(H,30,31);8-16,21H,3-7,17H2,1-2H3,(H,29,30);9-15,18-19H,4-8,16H2,1-3H3,(H,25,26);7-8,11-15,18-19H,2-6,9-10,16H2,1H3,(H,25,26);8-14,17-18,25H,3-7,15H2,1-2H3,(H,24,26)/t26-;25-;19-;;18-;;17-/m111.1.0/s1 |
| InChIKey | FHIODGWFVVKMMP-CDRAKKLTSA-N |
| XLogP | 41.75 |
| TPSA | 350.96 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 211 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2856.73 |
| LogP ≤ 5 | 41.75 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 17 |