N-(2-benzylphenyl)-2-chloroacetamide

• ChemBase ID: 164099
• Molecular Formular: C15H14ClNO
• Molecular Mass: 259.73076
• Monoisotopic Mass: 259.07639175
• SMILES: c1ccc(c(c1)Cc1ccccc1)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1ccccc1Cc1ccccc1
• InChI: InChI=1S/C15H14ClNO/c16-11-15(18)17-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
• InChIKey: YZCYKOPNFLUUIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-benzylphenyl)-2-chloroacetamide
• IUPAC Traditional name: N-(2-benzylphenyl)-2-chloroacetamide
• Synonyms: 2-Chloro-α-phenyl-o-acetotoluidide; 2-Chloro-N-[2-(benzyl)phenyl]acetamide; N-(2-Benzylphenyl)-2-chloroacetamide

Database IDs

• CAS Number: 21535-43-3
• PubChem SID: 162258234
• PubChem CID: 2386059

CALCULATED PROPERTIES

• Acid pKa: 13.397426
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.840094
• LogD (pH = 7.4): 3.8400936
• Log P: 3.840094
• Molar Refractivity: 75.4114 cm^3
• Polarizability: 28.381401 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Light Brown Solid

Product Information

• Purity: 95+%