2-chloro-N-(4-chlorophenyl)acetamide

• ChemBase ID: 26900
• Molecular Formular: C8H7Cl2NO
• Molecular Mass: 204.05328
• Monoisotopic Mass: 202.99046921
• SMILES: C(=O)(Nc1ccc(Cl)cc1)CCl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)Cl
• InChI: InChI=1S/C8H7Cl2NO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
• InChIKey: UDRCRMHFHHTVSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-chlorophenyl)acetamide
• IUPAC Traditional name: 2,4-dichloroacetanilide
• Synonyms: 2-Chloro-N-(4-chlorophenyl)acetamide; 2,4-DICHLOROACETANILIDE; N1-(4-chlorophenyl)-2-chloroacetamide; 2-Chloro-N-(4-chlorophenyl)acetamide; 4-Chloro-N-(chloroacetyl)aniline

Database IDs

• CAS Number: 3289-75-6
• MDL Number: MFCD00018904
• PubChem SID: 160990207
• PubChem CID: 94920

CALCULATED PROPERTIES

• Acid pKa: 13.433609
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3523448
• LogD (pH = 7.4): 2.3523443
• Log P: 2.3523448
• Molar Refractivity: 50.479 cm^3
• Polarizability: 18.960945 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144°C; 169 - 172 °C

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 97%

DETAILS

MP Biomedicals - 05224278

MP Biomedicals Rare Chemical collection