G1L
概要
| 表記: | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE |
| 組成式: | C12 H13 Cl F3 N O |
| 電荷: | 0 |
| 化学式量: | 279.686 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 3-chloro-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide |
| OpenEye OEToolkits | 1.5.0 | 3-chloro-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide |
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 | 10.04 | FC(F)(F)c1ccc(NC(=O)C(C)(C)CCl)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F |
| SMILES | CACTVS | 3.341 | CC(C)(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C12H13ClF3NO/c1-11(2,7-13)10(18)17-9-5-3-8(4-6-9)12(14,15)16/h3-6H,7H2,1-2H3,(H,17,18) |
| InChIKey | InChI | 1.03 | QCQZFHOGRCQNIH-UHFFFAOYSA-N |
