2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)acetamide

• ChemBase编号: 346016
• 分子式: C19H20FNO2
• 平均质量: 313.3660032
• 单一同位素质量: 313.14780711
• SMILES: C(=O)(N(Cc1c(OC)cccc1)CC=C)Cc1cc(F)ccc1
• Canonical SMILES: C=CCN(C(=O)Cc1cccc(c1)F)Cc1ccccc1OC
• InChI: InChI=1S/C19H20FNO2/c1-3-11-21(14-16-8-4-5-10-18(16)23-2)19(22)13-15-7-6-9-17(20)12-15/h3-10,12H,1,11,13-14H2,2H3
• InChIKey: YUVGISOXZPIUPF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)acetamide
• IUPAC传统名: 2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)acetamide
• 别名: N-allyl-2-(3-fluorophenyl)-N-(2-methoxybenzyl)acetamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.6921573
• LogD (pH = 7.4): 3.6921573
• Log P: 3.6921573
• 摩尔折射率: 89.4361 cm^3
• 极化性: 34.099094 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 3.49
• LOG S: -4.47
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 7