C159H142Cl2F7N19O9 — CID 157298329
5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide (PubChem CID 157298329) has the molecular formula C159H142Cl2F7N19O9 and a molecular weight of 2666.90 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 157298329 |
| Molecular Formula | C159H142Cl2F7N19O9 |
| Molecular Weight | 2666.90 g/mol |
| Exact Mass | 2664.05 |
| IUPAC Name | 5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;5-fluoro-N-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-3-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;7-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide |
| SMILES | CC(C)(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCCC1.C[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cccc(F)c2[nH]1)c1ccccc1.C[C@@H](c1ccccc1)N(C)C(=O)c1cc2cc(F)ccc2[nH]1.C[C@H](NC(=O)c1cc2cccc(F)c2[nH]1)c1ccccc1.Cc1c(C(=O)N[C@@H](C)c2ccccc2)[nH]c2ccc(F)cc12.O=C(Nc1cccc2ccccc12)c1cc2ccc(F)cc2[nH]1.O=C(Nc1cccc2ncccc12)c1cc2ccc(F)cc2[nH]1 |
| InChI | InChI=1S/C19H13FN2O.C18H17ClN2O.C18H12FN3O.2C18H17FN2O.C17H21ClN2O.3C17H15FN2O/c20-14-9-8-13-10-18(21-17(13)11-14)19(23)22-16-7-3-5-12-4-1-2-6-15(12)16;1-18(2,13-6-4-3-5-7-13)21-17(22)16-11-12-10-14(19)8-9-15(12)20-16;19-12-7-6-11-9-17(21-16(11)10-12)18(23)22-15-5-1-4-14-13(15)3-2-8-20-14;1-12(13-6-4-3-5-7-13)21(2)18(22)17-11-14-10-15(19)8-9-16(14)20-17;1-11-15-10-14(19)8-9-16(15)21-17(11)18(22)20-12(2)13-6-4-3-5-7-13;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-11(12-6-3-2-4-7-12)19-17(21)16-10-13-14(18)8-5-9-15(13)20-16;2*1-11(12-6-3-2-4-7-12)19-17(21)15-10-13-8-5-9-14(18)16(13)20-15/h1-11,21H,(H,22,23);3-11,20H,1-2H3,(H,21,22);1-10,21H,(H,22,23);3-12,20H,1-2H3;3-10,12,21H,1-2H3,(H,20,22);7-12,20H,2-6H2,1H3,(H,19,21);3*2-11,20H,1H3,(H,19,21)/t;;;2*12-;;3*11-/m...00.110/s1 |
| InChIKey | BBPFXSNSHGJROB-JDTCTOQNSA-N |
| XLogP | 37.47 |
| TPSA | 408.11 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 196 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2666.90 |
| LogP ≤ 5 | 37.47 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'} |
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