N-(4-iodo-2-methylphenyl)acetamide

• ChemBase ID: 84033
• Molecular Formular: C9H10INO
• Molecular Mass: 275.08627
• Monoisotopic Mass: 274.98071195
• SMILES: N(c1c(cc(cc1)I)C)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1C)I
• InChI: InChI=1S/C9H10INO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
• InChIKey: DUBRQYZOLALJTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-iodo-2-methylphenyl)acetamide
• IUPAC Traditional name: N-(4-iodo-2-methylphenyl)acetamide
• Synonyms: N1-(4-iodo-2-methylphenyl)acetamide

Database IDs

• CAS Number: 117324-09-1
• MDL Number: MFCD00219918
• PubChem SID: 162071149
• PubChem CID: 675008

CALCULATED PROPERTIES

• Acid pKa: 14.4761305
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.653322
• LogD (pH = 7.4): 2.653322
• Log P: 2.653322
• Molar Refractivity: 59.3247 cm^3
• Polarizability: 22.129887 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true