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

• ChemBase ID: 78981
• Molecular Formular: C8H7ClINO
• Molecular Mass: 295.50475
• Monoisotopic Mass: 294.92608953
• SMILES: N(c1ccc(cc1)I)C(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)I
• InChI: InChI=1S/C8H7ClINO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
• InChIKey: WIUVQCIRRAAPAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-iodophenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(4-iodophenyl)acetamide
• Synonyms: N1-(4-Iodophenyl)-2-chloroacetamide

Database IDs

• MDL Number: MFCD00171531
• PubChem SID: 162043744
• PubChem CID: 735792

CALCULATED PROPERTIES

• Acid pKa: 13.431967
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6772444
• LogD (pH = 7.4): 2.6772442
• Log P: 2.6772444
• Molar Refractivity: 59.0367 cm^3
• Polarizability: 22.339195 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true