N-(4-iodophenyl)acetamide

• ChemBase ID: 79459
• Molecular Formular: C8H8INO
• Molecular Mass: 261.05969
• Monoisotopic Mass: 260.96506188
• SMILES: Ic1ccc(cc1)NC(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1)I
• InChI: InChI=1S/C8H8INO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
• InChIKey: SIULLDWIXYYVCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-iodophenyl)acetamide
• IUPAC Traditional name: 4-iodoacetanilide
• Synonyms: N-(4-Iodophenyl)acetamide; 4'-Iodoacetanilide

Database IDs

• CAS Number: 622-50-4
• MDL Number: MFCD00016352
• PubChem SID: 162044222
• PubChem CID: 12147

CALCULATED PROPERTIES

• Acid pKa: 14.312455
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1399007
• LogD (pH = 7.4): 2.1399007
• Log P: 2.1399007
• Molar Refractivity: 54.2835 cm^3
• Polarizability: 20.394083 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant