2-(2-chlorophenyl)acetamide

• ChemBase ID: 270178
• Molecular Formular: C8H8ClNO
• Molecular Mass: 169.60822
• Monoisotopic Mass: 169.02944156
• SMILES: C(=O)(Cc1c(Cl)cccc1)N
• Canonical SMILES: NC(=O)Cc1ccccc1Cl
• InChI: InChI=1S/C8H8ClNO/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H2,10,11)
• InChIKey: WBJGNXYBEZIOES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)acetamide
• IUPAC Traditional name: 2-(2-chlorophenyl)acetamide
• Synonyms: 2-(2-chlorophenyl)acetamide

Database IDs

• MDL Number: MFCD00176724
• PubChem SID: 164326088
• PubChem CID: 641141

CALCULATED PROPERTIES

• Acid pKa: 14.689042
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4080962
• LogD (pH = 7.4): 1.4080962
• Log P: 1.4080962
• Molar Refractivity: 43.9926 cm^3
• Polarizability: 17.095627 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178 - 180°C
• Hydrophobicity(logP): 1.167

Product Information

• Purity: 95%