2-chloro-N-phenyl-N-[(phenylcarbamoyl)amino]acetamide

• ChemBase ID: 239370
• Molecular Formular: C15H14ClN3O2
• Molecular Mass: 303.74356
• Monoisotopic Mass: 303.07745438
• SMILES: N(C(=O)CCl)(NC(=O)Nc1ccccc1)c1ccccc1
• Canonical SMILES: ClCC(=O)N(c1ccccc1)NC(=O)Nc1ccccc1
• InChI: InChI=1S/C15H14ClN3O2/c16-11-14(20)19(13-9-5-2-6-10-13)18-15(21)17-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,21)
• InChIKey: MBYYZKVXOFINJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-phenyl-N-[(phenylcarbamoyl)amino]acetamide
• IUPAC Traditional name: 2-chloro-N-phenyl-N-[(phenylcarbamoyl)amino]acetamide
• Synonyms: 2-(chloroacetyl)-N,2-diphenylhydrazinecarboxamide

Database IDs

• MDL Number: MFCD06655214
• PubChem SID: 164295280
• PubChem CID: 4868361

CALCULATED PROPERTIES

• Acid pKa: 12.13983
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7069395
• LogD (pH = 7.4): 2.7069325
• Log P: 2.7069397
• Molar Refractivity: 81.8911 cm^3
• Polarizability: 30.814644 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.461

Product Information

• Purity: 95%