H1J
概要
| 表記: | N-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide |
| 組成式: | C14 H11 Cl F N O |
| 電荷: | 0 |
| 化学式量: | 263.695 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 | N-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(3-chlorophenyl)-2-(4-fluorophenyl)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 | N(C(Cc1ccc(cc1)F)=O)c2cccc(c2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C14H11ClFNO/c15-11-2-1-3-13(9-11)17-14(18)8-10-4-6-12(16)7-5-10/h1-7,9H,8H2,(H,17,18) |
| InChIKey | InChI | 1.03 | BNRVDRRNZNBFGG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(CC(=O)Nc2cccc(Cl)c2)cc1 |
| SMILES | CACTVS | 3.385 | Fc1ccc(CC(=O)Nc2cccc(Cl)c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)NC(=O)Cc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)NC(=O)Cc2ccc(cc2)F |
