W5U
概要
| 表記: | N-[2-(dimethylamino)ethyl]-4-fluorobenzamide |
| 組成式: | C11 H15 F N2 O |
| 電荷: | 0 |
| 化学式量: | 210.248 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-[2-(dimethylamino)ethyl]-4-fluorobenzamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(dimethylamino)ethyl]-4-fluoranyl-benzamide |
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(NCCN(C)C)c1ccc(F)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H15FN2O/c1-14(2)8-7-13-11(15)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15) |
| InChIKey | InChI | 1.06 | XLSAVXTWRCBMRA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCNC(=O)c1ccc(F)cc1 |
| SMILES | CACTVS | 3.385 | CN(C)CCNC(=O)c1ccc(F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCNC(=O)c1ccc(cc1)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCNC(=O)c1ccc(cc1)F |
