2-bromo-N-(2,6-diethylphenyl)-2-phenylacetamide

• ChemBase编号: 84195
• 分子式: C18H20BrNO
• 平均质量: 346.2615
• 单一同位素质量: 345.07282627
• SMILES: N(c1c(cccc1CC)CC)C(=O)C(c1ccccc1)Br
• Canonical SMILES: CCc1cccc(c1NC(=O)C(c1ccccc1)Br)CC
• InChI: InChI=1S/C18H20BrNO/c1-3-13-11-8-12-14(4-2)17(13)20-18(21)16(19)15-9-6-5-7-10-15/h5-12,16H,3-4H2,1-2H3,(H,20,21)
• InChIKey: NZVZWMYNXZUEHV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-bromo-N-(2,6-diethylphenyl)-2-phenylacetamide
• IUPAC传统名: 2-bromo-N-(2,6-diethylphenyl)-2-phenylacetamide
• 别名: N1-(2,6-diethylphenyl)-2-bromo-2-phenylacetamide

登记号

• MDL号: MFCD00124747
• PubChem SID: 162071311
• PubChem CID: 2781627

理论计算性质

• Acid pKa: 13.481042
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 5.786205
• LogD (pH = 7.4): 5.7862043
• Log P: 5.786205
• 摩尔折射率: 92.3 cm^3
• 极化性: 34.59654 Å^3
• 极化表面积: 29.1 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false