C119H108Cl5F2N15O8 — CID 157234091
5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide (PubChem CID 157234091) has the molecular formula C119H108Cl5F2N15O8 and a molecular weight of 2091.53 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide.
| Compound Name | 5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide |
|---|---|
| PubChem CID | 157234091 |
| Molecular Formula | C119H108Cl5F2N15O8 |
| Molecular Weight | 2091.53 g/mol |
| Exact Mass | 2087.69 |
| IUPAC Name | 5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide |
| SMILES | CC(C)(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.CC(C)C(C)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCCC1.C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1.C[C@@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.O=C(Nc1cccc2ccccc12)c1cc2ccc(F)cc2[nH]1.O=C(Nc1cccc2ncccc12)c1cc2ccc(F)cc2[nH]1 |
| InChI | InChI=1S/C19H13FN2O.C18H17ClN2O.C18H12FN3O.C17H14Cl2N2O.C17H21ClN2O.C16H14N2O2.C14H17ClN2O/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;1-10(11-2-4-13(18)5-3-11)20-17(22)16-9-12-8-14(19)6-7-15(12)21-16;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(12-7-3-2-4-8-12)17-15(19)16-18-13-9-5-6-10-14(13)20-16;1-8(2)9(3)16-14(18)13-7-10-6-11(15)4-5-12(10)17-13/h1-11,21H,(H,22,23);3-11,20H,1-2H3,(H,21,22);1-10,21H,(H,22,23);2-10,21H,1H3,(H,20,22);7-12,20H,2-6H2,1H3,(H,19,21);2-11H,1H3,(H,17,19);4-9,17H,1-3H3,(H,16,18)/t;;;10-;;11-;/m...1.1./s1 |
| InChIKey | AUKZIHRCYWRWNJ-NPWADKKISA-N |
| XLogP | 29.71 |
| TPSA | 337.36 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 149 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2091.53 |
| LogP ≤ 5 | 29.71 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 10 |