M7X
概要
| 表記: | 2-(3-chlorophenyl)-N-(5-methylpyridin-3-yl)acetamide |
| 組成式: | C14 H13 Cl N2 O |
| 電荷: | 0 |
| 化学式量: | 260.719 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-(5-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chlorophenyl)-~{N}-(5-methylpyridin-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(Nc1cc(C)cnc1)Cc1cccc(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C14H13ClN2O/c1-10-5-13(9-16-8-10)17-14(18)7-11-3-2-4-12(15)6-11/h2-6,8-9H,7H2,1H3,(H,17,18) |
| InChIKey | InChI | 1.06 | BMYRQBMWNFDONV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cncc(NC(=O)Cc2cccc(Cl)c2)c1 |
| SMILES | CACTVS | 3.385 | Cc1cncc(NC(=O)Cc2cccc(Cl)c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cnc1)NC(=O)Cc2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cnc1)NC(=O)Cc2cccc(c2)Cl |
