2-chloro-N-(1,2-diphenylethyl)acetamide

• ChemBase ID: 247279
• Molecular Formular: C16H16ClNO
• Molecular Mass: 273.75734
• Monoisotopic Mass: 273.09204182
• SMILES: N(C(Cc1ccccc1)c1ccccc1)C(=O)CCl
• Canonical SMILES: ClCC(=O)NC(c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C16H16ClNO/c17-12-16(19)18-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)
• InChIKey: JBFGAYHXKQXCTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(1,2-diphenylethyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(1,2-diphenylethyl)acetamide
• Synonyms: 2-chloro-N-(1,2-diphenylethyl)acetamide

Database IDs

• MDL Number: MFCD00085848
• PubChem SID: 164303189
• PubChem CID: 4425285

CALCULATED PROPERTIES

• Acid pKa: 11.927649
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.528106
• LogD (pH = 7.4): 3.5280945
• Log P: 3.528106
• Molar Refractivity: 77.7662 cm^3
• Polarizability: 30.31138 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 3.44

Product Information

• Purity: 95%