C119H107Cl2F6N13O8S — CID 159507150
5-chloro-N-[(4-fluorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide (PubChem CID 159507150) has the molecular formula C119H107Cl2F6N13O8S and a molecular weight of 2064.21 g/mol. Its IUPAC name is 5-chloro-N-[(4-fluorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-[(4-fluorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 159507150 |
| Molecular Formula | C119H107Cl2F6N13O8S |
| Molecular Weight | 2064.21 g/mol |
| Exact Mass | 2061.74 |
| IUPAC Name | 5-chloro-N-[(4-fluorophenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;5-fluoro-N-[1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide;1-(5-fluoro-1H-indol-2-yl)-4-methyl-3-thiophen-2-ylpentan-1-one;5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide |
| SMILES | CC(C)C(CC(=O)c1cc2cc(F)ccc2[nH]1)c1cccs1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(F)c1.Cc1ccc(C(C)NC(=O)c2cc3cc(F)ccc3[nH]2)o1.Cc1ccc2[nH]c(C(=O)NC(C)c3ccccc3)cc2c1.Cc1ccc2[nH]c(C(=O)NCc3ccc(F)cc3)cc2c1.O=C(NCc1ccc(F)cc1)c1cc2cc(Cl)ccc2[nH]1 |
| InChI | InChI=1S/C18H18FNOS.C18H18N2O.C17H15ClN2O.C17H14F2N2O.C17H15FN2O.C16H12ClFN2O.C16H15FN2O2/c1-11(2)14(18-4-3-7-22-18)10-17(21)16-9-12-8-13(19)5-6-15(12)20-16;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;1-10(11-3-2-4-13(18)7-11)20-17(22)16-9-12-8-14(19)5-6-15(12)21-16;1-11-2-7-15-13(8-11)9-16(20-15)17(21)19-10-12-3-5-14(18)6-4-12;17-12-3-6-14-11(7-12)8-15(20-14)16(21)19-9-10-1-4-13(18)5-2-10;1-9-3-6-15(21-9)10(2)18-16(20)14-8-11-7-12(17)4-5-13(11)19-14/h3-9,11,14,20H,10H2,1-2H3;3-11,13,20H,1-2H3,(H,19,21);2-11,20H,1H3,(H,19,21);2-10,21H,1H3,(H,20,22);2-9,20H,10H2,1H3,(H,19,21);1-8,20H,9H2,(H,19,21);3-8,10,19H,1-2H3,(H,18,20) |
| InChIKey | MADGRAXYWMEJTK-UHFFFAOYSA-N |
| XLogP | 28.73 |
| TPSA | 315.34 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 149 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2064.21 |
| LogP ≤ 5 | 28.73 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 9 |