2-amino-N-(5-fluoro-2-methylphenyl)acetamide

• ChemBase编号: 308511
• 分子式: C9H11FN2O
• 平均质量: 182.1948432
• 单一同位素质量: 182.0855412
• SMILES: c1(NC(=O)CN)cc(ccc1C)F
• Canonical SMILES: Cc1ccc(cc1NC(=O)CN)F
• InChI: InChI=1S/C9H11FN2O/c1-6-2-3-7(10)4-8(6)12-9(13)5-11/h2-4H,5,11H2,1H3,(H,12,13)
• InChIKey: BGDTTYPNQBSNCU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-N-(5-fluoro-2-methylphenyl)acetamide
• IUPAC传统名: 2-amino-N-(5-fluoro-2-methylphenyl)acetamide
• 别名: N~1~-(5-fluoro-2-methylphenyl)glycinamide

登记号

• CAS号: 1016876-45-1
• MDL号: MFCD09939120

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -1.4301031
• LogD (pH = 7.4): 0.26429445
• Log P: 0.94294965
• 摩尔折射率: 49.5383 cm^3
• 极化性: 18.18215 Å^3
• 极化表面积: 55.12 Å^2