C126H119ClF4N14O8 — CID 157497105
5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide (PubChem CID 157497105) has the molecular formula C126H119ClF4N14O8 and a molecular weight of 2068.87 g/mol. Its IUPAC name is 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 157497105 |
| Molecular Formula | C126H119ClF4N14O8 |
| Molecular Weight | 2068.87 g/mol |
| Exact Mass | 2066.90 |
| IUPAC Name | 5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide |
| SMILES | CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2ccccc2[nH]1)c1ccc(C(F)(F)F)cc1.CC(NC(=O)c1cc2ccccc2[nH]1)c1ccccc1.COc1ccc(C(NC(=O)c2cc3ccccc3[nH]2)C2CC2)cc1.Cc1ccc(CNC(=O)c2cc3cc(C)ccc3[nH]2)cc1.Cc1ccc2[nH]c(C(=O)NC(C)c3cccc(F)c3)cc2c1.Cc1ccc2[nH]c(C(=O)NC(C)c3ccccc3)cc2c1 |
| InChI | InChI=1S/C20H20N2O2.C18H15F3N2O.C18H17FN2O.2C18H18N2O.C17H15ClN2O.C17H16N2O/c1-24-16-10-8-14(9-11-16)19(13-6-7-13)22-20(23)18-12-15-4-2-3-5-17(15)21-18;1-11(12-6-8-14(9-7-12)18(19,20)21)22-17(24)16-10-13-4-2-3-5-15(13)23-16;1-11-6-7-16-14(8-11)10-17(21-16)18(22)20-12(2)13-4-3-5-15(19)9-13;1-12-3-6-14(7-4-12)11-19-18(21)17-10-15-9-13(2)5-8-16(15)20-17;1-12-8-9-16-15(10-12)11-17(20-16)18(21)19-13(2)14-6-4-3-5-7-14;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-12(13-7-3-2-4-8-13)18-17(20)16-11-14-9-5-6-10-15(14)19-16/h2-5,8-13,19,21H,6-7H2,1H3,(H,22,23);2-11,23H,1H3,(H,22,24);3-10,12,21H,1-2H3,(H,20,22);3-10,20H,11H2,1-2H3,(H,19,21);3-11,13,20H,1-2H3,(H,19,21);2-11,20H,1H3,(H,19,21);2-12,19H,1H3,(H,18,20) |
| InChIKey | BXYSEJVTEPQEOL-UHFFFAOYSA-N |
| XLogP | 28.49 |
| TPSA | 323.46 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 153 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2068.87 |
| LogP ≤ 5 | 28.49 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 8 |