VHO
概要
表記: | N-cyclopropyl-2-(3-fluorophenoxy)acetamide |
組成式: | C11 H12 F N O2 |
電荷: | 0 |
化学式量: | 209.217 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-cyclopropyl-2-(3-fluorophenoxy)acetamide |
OpenEye OEToolkits | 2.0.7 | ~{N}-cyclopropyl-2-(3-fluoranylphenoxy)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(COc1cccc(F)c1)NC1CC1 |
InChI | InChI | 1.06 | InChI=1S/C11H12FNO2/c12-8-2-1-3-10(6-8)15-7-11(14)13-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,13,14) |
InChIKey | InChI | 1.06 | KWLDKDIUPHEWRJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(OCC(=O)NC2CC2)c1 |
SMILES | CACTVS | 3.385 | Fc1cccc(OCC(=O)NC2CC2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)OCC(=O)NC2CC2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)OCC(=O)NC2CC2 |