2-(4-chlorophenyl)acetamide

• ChemBase ID: 270368
• Molecular Formular: C8H8ClNO
• Molecular Mass: 169.60822
• Monoisotopic Mass: 169.02944156
• SMILES: C(=O)(Cc1ccc(Cl)cc1)N
• Canonical SMILES: NC(=O)Cc1ccc(cc1)Cl
• InChI: InChI=1S/C8H8ClNO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)
• InChIKey: BFYGROHYLCZLGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)acetamide
• IUPAC Traditional name: 2-(4-chlorophenyl)acetamide
• Synonyms: 2-(4-chlorophenyl)acetamide

Database IDs

• MDL Number: MFCD02380705
• PubChem SID: 164326278
• PubChem CID: 643286

CALCULATED PROPERTIES

• Acid pKa: 15.040309
• 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: 17.09197 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 1.167

Product Information

• Purity: 95%