C117H94ClF8N13O7 — CID 160834082
N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 160834082) has the molecular formula C117H94ClF8N13O7 and a molecular weight of 1981.56 g/mol. Its IUPAC name is N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
| Compound Name | N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide |
|---|---|
| PubChem CID | 160834082 |
| Molecular Formula | C117H94ClF8N13O7 |
| Molecular Weight | 1981.56 g/mol |
| Exact Mass | 1979.70 |
| IUPAC Name | N-[3-(2-amino-3H-benzimidazol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[3-[(1R)-1-aminoethyl]phenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;1-(3-chlorophenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;4-(difluoromethoxy)-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide |
| SMILES | Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(N)[nH]c2c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cccc([C@@H](C)N)c1 |
| InChI | InChI=1S/C25H20N2O2.C24H18F2N2O2.C23H18ClN3O.C23H21F3N2O.C22H17F3N4O/c1-16-2-6-22(27-25(28)20-5-7-24-19(13-20)9-11-29-24)14-23(16)18-4-3-17-8-10-26-15-21(17)12-18;1-15-2-7-20(28-23(29)17-5-8-21(9-6-17)30-24(25)26)13-22(15)18-4-3-16-10-11-27-14-19(16)12-18;1-15-5-8-21(27-23(28)26-20-4-2-3-19(24)12-20)13-22(15)17-7-6-16-9-10-25-14-18(16)11-17;1-14-9-10-20(13-21(14)17-6-3-5-16(11-17)15(2)27)28-22(29)18-7-4-8-19(12-18)23(24,25)26;1-12-5-7-16(27-20(30)14-3-2-4-15(9-14)22(23,24)25)11-17(12)13-6-8-18-19(10-13)29-21(26)28-18/h2-8,10,12-15H,9,11H2,1H3,(H,27,28);2-14,24H,1H3,(H,28,29);2-14H,1H3,(H2,26,27,28);3-13,15H,27H2,1-2H3,(H,28,29);2-11H,1H3,(H,27,30)(H3,26,28,29)/t;;;15-;/m...1./s1 |
| InChIKey | SHEIUAUEZGXOQQ-IJPZNPOWSA-N |
| XLogP | 29.31 |
| TPSA | 295.38 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1981.56 |
| LogP ≤ 5 | 29.31 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 13 |