2-chloro-N-(2-chlorophenyl)acetamide

• ChemBase ID: 26903
• Molecular Formular: C8H7Cl2NO
• Molecular Mass: 204.05328
• Monoisotopic Mass: 202.99046921
• SMILES: N(c1c(Cl)cccc1)C(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1ccccc1Cl
• InChI: InChI=1S/C8H7Cl2NO/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5H2,(H,11,12)
• InChIKey: OPZKPLRTPWUXRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-chlorophenyl)acetamide
• IUPAC Traditional name: 2,6-dichloroacetanilide
• Synonyms: 2-Chloro-N-(2-chlorophenyl)acetamide; 2,2'-Dichloroacetanilide; N1-(2-chlorophenyl)-2-chloroacetamide

Database IDs

• CAS Number: 3289-76-7
• MDL Number: MFCD00032560
• PubChem SID: 160990210
• PubChem CID: 222444

CALCULATED PROPERTIES

• Acid pKa: 12.203595
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3523445
• LogD (pH = 7.4): 2.352338
• Log P: 2.3523448
• Molar Refractivity: 50.479 cm^3
• Polarizability: 18.97654 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%