N-cyclopropyl-3,5-difluoro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide

• ChemBase编号: 612993
• 分子式: C19H19F2NO3
• 平均质量: 347.3558664
• 单一同位素质量: 347.13329991
• SMILES: N(C(=O)c1cc(c(c(c1)F)OC)F)(Cc1c(OC)cccc1)C1CC1
• Canonical SMILES: COc1c(F)cc(cc1F)C(=O)N(C1CC1)Cc1ccccc1OC
• InChI: InChI=1S/C19H19F2NO3/c1-24-17-6-4-3-5-12(17)11-22(14-7-8-14)19(23)13-9-15(20)18(25-2)16(21)10-13/h3-6,9-10,14H,7-8,11H2,1-2H3
• InChIKey: XMYUSZQEIYHJLS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-3,5-difluoro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
• IUPAC传统名: N-cyclopropyl-3,5-difluoro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
• 别名: N-cyclopropyl-3,5-difluoro-4-methoxy-N-(2-methoxybenzyl)benzamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.431337
• LogD (pH = 7.4): 3.431337
• Log P: 3.431337
• 摩尔折射率: 90.1128 cm^3
• 极化性: 33.82105 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.23
• LOG S: -4.49
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 6