N-[4-bromo-2-(propan-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide

• ChemBase编号: 311887
• 分子式: C19H22BrNO2
• 平均质量: 376.28748
• 单一同位素质量: 375.08339095
• SMILES: c1(c(cc(cc1)Br)C(C)C)NC(=O)COc1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)OCC(=O)Nc1ccc(cc1C(C)C)Br
• InChI: InChI=1S/C19H22BrNO2/c1-4-14-5-8-16(9-6-14)23-12-19(22)21-18-10-7-15(20)11-17(18)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,22)
• InChIKey: XMFFXPRPJJNORP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[4-bromo-2-(propan-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
• IUPAC传统名: N-(4-bromo-2-isopropylphenyl)-2-(4-ethylphenoxy)acetamide
• 别名: N-(4-bromo-2-isopropylphenyl)-2-(4-ethylphenoxy)acetamide

登记号

• CAS号: 528531-90-0
• MDL号: MFCD03555609

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 5.6996117
• LogD (pH = 7.4): 5.699609
• Log P: 5.6996117
• 摩尔折射率: 98.3389 cm^3
• 极化性: 37.22667 Å^3
• 极化表面积: 38.33 Å^2