QXX
概要
| 表記: | 2-(3-chlorophenyl)-N-[4-(trifluoromethyl)pyridin-3-yl]acetamide |
| 組成式: | C14 H10 Cl F3 N2 O |
| 電荷: | 0 |
| 化学式量: | 314.69 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2-(3-chlorophenyl)-N-[4-(trifluoromethyl)pyridin-3-yl]acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chlorophenyl)-~{N}-[4-(trifluoromethyl)pyridin-3-yl]ethanamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C(F)(F)F)Cc1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C14H10ClF3N2O/c15-10-3-1-2-9(6-10)7-13(21)20-12-8-19-5-4-11(12)14(16,17)18/h1-6,8H,7H2,(H,20,21) |
| InChIKey | InChI | 1.06 | LTODPBLUNCYZHX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccncc1NC(=O)Cc2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1ccncc1NC(=O)Cc2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2C(F)(F)F |
