C99H76F11N11O8 — CID 158874732
7-ethenyl-5-fluoro-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide;7-(4-ethylphenyl)-5-fluoro-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-2-[(3-fluorophenyl)methylcarbamoyl]-1H-indole-7-carboxylic acid;5-fluoro-2-N-[(3-fluorophenyl)methyl]-7-N-methyl-1H-indole-2,7-dicarboxamide (PubChem CID 158874732) has the molecular formula C99H76F11N11O8 and a molecular weight of 1756.74 g/mol. Its IUPAC name is 7-ethenyl-5-fluoro-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide;7-(4-ethylphenyl)-5-fluoro-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-2-[(3-fluorophenyl)methylcarbamoyl]-1H-indole-7-carboxylic acid;5-fluoro-2-N-[(3-fluorophenyl)methyl]-7-N-methyl-1H-indole-2,7-dicarboxamide.
| Compound Name | 7-ethenyl-5-fluoro-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide;7-(4-ethylphenyl)-5-fluoro-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-2-[(3-fluorophenyl)methylcarbamoyl]-1H-indole-7-carboxylic acid;5-fluoro-2-N-[(3-fluorophenyl)methyl]-7-N-methyl-1H-indole-2,7-dicarboxamide |
|---|---|
| PubChem CID | 158874732 |
| Molecular Formula | C99H76F11N11O8 |
| Molecular Weight | 1756.74 g/mol |
| Exact Mass | 1755.57 |
| IUPAC Name | 7-ethenyl-5-fluoro-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide;7-(4-ethylphenyl)-5-fluoro-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-2-[(3-fluorophenyl)methylcarbamoyl]-1H-indole-7-carboxylic acid;5-fluoro-2-N-[(3-fluorophenyl)methyl]-7-N-methyl-1H-indole-2,7-dicarboxamide |
| SMILES | C=Cc1cc(F)cc2cc(C(=O)NCc3cccc(F)c3)[nH]c12.CCc1ccc(-c2cc(F)cc3cc(C(=O)NCc4cccc(F)c4)[nH]c23)cc1.CNC(=O)c1cc(F)cc2cc(C(=O)NCc3cccc(F)c3)[nH]c12.O=C(NCc1cccc(F)c1)c1cc2cc(F)cc(-c3ccc(F)cc3)c2[nH]1.O=C(NCc1cccc(F)c1)c1cc2cc(F)cc(C(=O)O)c2[nH]1 |
| InChI | InChI=1S/C24H20F2N2O.C22H15F3N2O.C18H15F2N3O2.C18H14F2N2O.C17H12F2N2O3/c1-2-15-6-8-17(9-7-15)21-13-20(26)11-18-12-22(28-23(18)21)24(29)27-14-16-4-3-5-19(25)10-16;23-16-6-4-14(5-7-16)19-11-18(25)9-15-10-20(27-21(15)19)22(28)26-12-13-2-1-3-17(24)8-13;1-21-17(24)14-8-13(20)6-11-7-15(23-16(11)14)18(25)22-9-10-3-2-4-12(19)5-10;1-2-12-7-15(20)8-13-9-16(22-17(12)13)18(23)21-10-11-4-3-5-14(19)6-11;18-11-3-1-2-9(4-11)8-20-16(22)14-6-10-5-12(19)7-13(17(23)24)15(10)21-14/h3-13,28H,2,14H2,1H3,(H,27,29);1-11,27H,12H2,(H,26,28);2-8,23H,9H2,1H3,(H,21,24)(H,22,25);2-9,22H,1,10H2,(H,21,23);1-7,21H,8H2,(H,20,22)(H,23,24) |
| InChIKey | JCHGGMMTXGVYDK-UHFFFAOYSA-N |
| XLogP | 20.62 |
| TPSA | 290.85 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 129 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1756.74 |
| LogP ≤ 5 | 20.62 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 7 |