N-benzyl-2-chloro-N-phenylacetamide

• ChemBase ID: 252380
• Molecular Formular: C15H14ClNO
• Molecular Mass: 259.73076
• Monoisotopic Mass: 259.07639175
• SMILES: N(C(=O)CCl)(Cc1ccccc1)c1ccccc1
• Canonical SMILES: ClCC(=O)N(c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C15H14ClNO/c16-11-15(18)17(14-9-5-2-6-10-14)12-13-7-3-1-4-8-13/h1-10H,11-12H2
• InChIKey: CFSKJDUGDLZDTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-chloro-N-phenylacetamide
• IUPAC Traditional name: N-benzyl-2-chloro-N-phenylacetamide
• Synonyms: N-benzyl-2-chloro-N-phenylacetamide

Database IDs

• MDL Number: MFCD00438626
• PubChem SID: 164308290
• PubChem CID: 1480187

CALCULATED PROPERTIES

• Acid pKa: 16.757801
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3368392
• LogD (pH = 7.4): 3.3368392
• Log P: 3.3368392
• Molar Refractivity: 73.4027 cm^3
• Polarizability: 28.456728 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 3.488

Product Information

• Purity: 95%