2-(2H5)phenyl-2-[(2H5)phenylformamido]acetamide

• ChemBase编号: 161285
• 分子式: C15H14N2O2
• 平均质量: 254.28386
• 单一同位素质量: 254.1055277
• SMILES: c1cccc(c1)C(=O)NC(C(=O)N)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)NC(c1ccccc1)C(=O)N
• InChI: InChI=1S/C15H14N2O2/c16-14(18)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12/h1-10,13H,(H2,16,18)(H,17,19)
• InChIKey: HAQWPUWMFUOREY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(^2H₅)phenyl-2-[(^2H₅)phenylformamido]acetamide
• IUPAC传统名: 2-(^2H₅)phenyl-2-[(^2H₅)phenylformamido]acetamide
• 别名: N-(α-Carbamoylbenzyl)benzamide-d10; α-(Benzoylamino)benzeneacetamide-d10

登记号

• PubChem SID: 162255420
• PubChem CID: 71313702

理论计算性质

• Acid pKa: 14.929611
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.6550323
• LogD (pH = 7.4): 1.6550323
• Log P: 1.6550323
• 摩尔折射率: 72.2978 cm^3
• 极化性: 27.686995 Å^3
• 极化表面积: 72.19 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol
• 外观: White Solid

详细说明

Toronto Research Chemicals - B207967

Intermediate in the preparation of labelled Cephalexin.