2-(2,6-dichlorophenyl)acetamide

• ChemBase ID: 270092
• Molecular Formular: C8H7Cl2NO
• Molecular Mass: 204.05328
• Monoisotopic Mass: 202.99046921
• SMILES: c1(CC(=O)N)c(Cl)cccc1Cl
• Canonical SMILES: NC(=O)Cc1c(Cl)cccc1Cl
• InChI: InChI=1S/C8H7Cl2NO/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H2,11,12)
• InChIKey: KEPLFZWNVMCJLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dichlorophenyl)acetamide
• IUPAC Traditional name: 2-(2,6-dichlorophenyl)acetamide
• Synonyms: 2-(2,6-dichlorophenyl)acetamide

Database IDs

• MDL Number: MFCD00082745
• PubChem SID: 164326002
• PubChem CID: 3422379

CALCULATED PROPERTIES

• Acid pKa: 13.320226
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0121408
• LogD (pH = 7.4): 2.0121412
• Log P: 2.0121408
• Molar Refractivity: 48.7974 cm^3
• Polarizability: 19.024366 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 216 - 218°C
• Hydrophobicity(logP): 1.88

Product Information

• Purity: 95%