C118H122Cl5N17O12 — CID 159848089
5-chloro-N-(1-cyclopropylpropyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(piperidine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide (PubChem CID 159848089) has the molecular formula C118H122Cl5N17O12 and a molecular weight of 2147.65 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylpropyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(piperidine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide.
| Compound Name | 5-chloro-N-(1-cyclopropylpropyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(piperidine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide |
|---|---|
| PubChem CID | 159848089 |
| Molecular Formula | C118H122Cl5N17O12 |
| Molecular Weight | 2147.65 g/mol |
| Exact Mass | 2143.79 |
| IUPAC Name | 5-chloro-N-(1-cyclopropylpropyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(piperidine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;2-N-(1-phenylethyl)-1H-indole-2,6-dicarboxamide |
| SMILES | CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N2CCCCC2)cc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(NC(=O)c1cc2ccc(C(N)=O)cc2[nH]1)c1ccccc1.CCC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CC1.COCCN(C)C(=O)c1ccc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.O=C(NC(CO)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1 |
| InChI | InChI=1S/C23H25ClN4O2.C23H24ClN3O2.C22H24ClN3O3.C18H17N3O2.C17H15ClN2O2.C15H17ClN2O/c1-15(25-22(29)21-14-18-13-19(24)7-8-20(18)26-21)16-3-5-17(6-4-16)23(30)28-11-9-27(2)10-12-28;1-15(25-22(28)21-14-18-13-19(24)9-10-20(18)26-21)16-5-7-17(8-6-16)23(29)27-11-3-2-4-12-27;1-14(15-4-6-16(7-5-15)22(28)26(2)10-11-29-3)24-21(27)20-13-17-12-18(23)8-9-19(17)25-20;1-11(12-5-3-2-4-6-12)20-18(23)16-9-13-7-8-14(17(19)22)10-15(13)21-16;18-13-6-7-14-12(8-13)9-15(19-14)17(22)20-16(10-21)11-4-2-1-3-5-11;1-2-12(9-3-4-9)18-15(19)14-8-10-7-11(16)5-6-13(10)17-14/h3-8,13-15,26H,9-12H2,1-2H3,(H,25,29);5-10,13-15,26H,2-4,11-12H2,1H3,(H,25,28);4-9,12-14,25H,10-11H2,1-3H3,(H,24,27);2-11,21H,1H3,(H2,19,22)(H,20,23);1-9,16,19,21H,10H2,(H,20,22);5-9,12,17H,2-4H2,1H3,(H,18,19) |
| InChIKey | NPOMIJNUDVSXPR-UHFFFAOYSA-N |
| XLogP | 22.45 |
| TPSA | 406.06 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 152 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2147.65 |
| LogP ≤ 5 | 22.45 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 13 |