N-(3-iodophenyl)acetamide

• ChemBase ID: 270465
• Molecular Formular: C8H8INO
• Molecular Mass: 261.05969
• Monoisotopic Mass: 260.96506188
• SMILES: C(=O)(Nc1cc(I)ccc1)C
• Canonical SMILES: CC(=O)Nc1cccc(c1)I
• InChI: InChI=1S/C8H8INO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
• InChIKey: AMUUVYMMGLMBIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-iodophenyl)acetamide
• IUPAC Traditional name: acetamide, N-(3-iodophenyl)-
• Synonyms: N-(3-iodophenyl)acetamide

Database IDs

• MDL Number: MFCD00673012
• PubChem SID: 164326375
• PubChem CID: 87971

CALCULATED PROPERTIES

• Acid pKa: 14.108368
• 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: 20.394394 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 123 - 125°C
• Hydrophobicity(logP): 2.542

Product Information

• Purity: 95%