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

• ChemBase ID: 161285
• Molecular Formular: C15H14N2O2
• Molecular Mass: 254.28386
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(^2H₅)phenyl-2-[(^2H₅)phenylformamido]acetamide
• IUPAC Traditional name: 2-(^2H₅)phenyl-2-[(^2H₅)phenylformamido]acetamide
• Synonyms: N-(α-Carbamoylbenzyl)benzamide-d10; α-(Benzoylamino)benzeneacetamide-d10

Database IDs

• PubChem SID: 162255420
• PubChem CID: 71313702

CALCULATED PROPERTIES

• Acid pKa: 14.929611
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6550323
• LogD (pH = 7.4): 1.6550323
• Log P: 1.6550323
• Molar Refractivity: 72.2978 cm^3
• Polarizability: 27.686995 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: White Solid

DETAILS

Toronto Research Chemicals - B207967

Intermediate in the preparation of labelled Cephalexin.