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

• ChemBase ID: 99480
• Molecular Formular: C8H7FINO
• Molecular Mass: 279.0501532
• Monoisotopic Mass: 278.95564007
• SMILES: Fc1c(ccc(c1)I)NC(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1F)I
• InChI: InChI=1S/C8H7FINO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)
• InChIKey: HRBWAJGVVZVRSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoro-4-iodophenyl)acetamide
• IUPAC Traditional name: N-(2-fluoro-4-iodophenyl)acetamide
• Synonyms: N-(2-Fluoro-4-iodophenyl)acetamide; 2-Fluoro-4-iodoacetanilide

Database IDs

• MDL Number: MFCD04039298
• PubChem SID: 162085745
• PubChem CID: 2782196

CALCULATED PROPERTIES

• Acid pKa: 12.049188
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2826025
• LogD (pH = 7.4): 2.2825933
• Log P: 2.2826025
• Molar Refractivity: 54.4999 cm^3
• Polarizability: 20.266048 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant