C142H124BrF6N7O19S2 — CID 157146267
N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide (PubChem CID 157146267) has the molecular formula C142H124BrF6N7O19S2 and a molecular weight of 2490.61 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide.
| Compound Name | N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide |
|---|---|
| PubChem CID | 157146267 |
| Molecular Formula | C142H124BrF6N7O19S2 |
| Molecular Weight | 2490.61 g/mol |
| Exact Mass | 2487.75 |
| IUPAC Name | N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide |
| SMILES | Cc1ccc(Br)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1ccccc1OC(F)F)c1cccs1 |
| InChI | InChI=1S/C26H24N2O2.C24H22BrNO3.C24H20F3NO3.C24H20FNO4.C22H19F2NO3S.C22H19NO4S/c1-18-8-5-6-13-22(18)26(30)28-23(16-19-9-3-2-4-10-19)24(29)17-21-12-7-11-20-14-15-27-25(20)21;1-16-7-10-20(25)14-19(16)15-23(28)22(13-17-8-11-21(27)12-9-17)26-24(29)18-5-3-2-4-6-18;25-19-12-6-5-11-18(19)23(30)28-20(14-16-8-2-1-3-9-16)21(29)15-17-10-4-7-13-22(17)31-24(26)27;25-19-11-5-4-10-18(19)24(28)26-20(13-16-7-2-1-3-8-16)21(27)14-17-9-6-12-22-23(17)30-15-29-22;23-22(24)28-19-10-5-4-9-16(19)14-18(26)17(13-15-7-2-1-3-8-15)25-21(27)20-11-6-12-29-20;24-18(13-16-8-4-9-19-21(16)27-14-26-19)17(12-15-6-2-1-3-7-15)23-22(25)20-10-5-11-28-20/h2-15,23,27H,16-17H2,1H3,(H,28,30);2-12,14,22,27H,13,15H2,1H3,(H,26,29);1-13,20,24H,14-15H2,(H,28,30);1-12,20H,13-15H2,(H,26,28);1-12,17,22H,13-14H2,(H,25,27);1-11,17H,12-14H2,(H,23,25) |
| InChIKey | AKSULXFGYYKOEP-UHFFFAOYSA-N |
| XLogP | 25.66 |
| TPSA | 368.42 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 177 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2490.61 |
| LogP ≤ 5 | 25.66 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 21 |