4-fluoro-3-iodobenzamide

• ChemBase ID: 98158
• Molecular Formular: C7H5FINO
• Molecular Mass: 265.0235732
• Monoisotopic Mass: 264.93999001
• SMILES: Fc1ccc(cc1I)C(=O)N
• Canonical SMILES: NC(=O)c1ccc(c(c1)I)F
• InChI: InChI=1S/C7H5FINO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
• InChIKey: ZQYKECZCRGDGKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-iodobenzamide
• IUPAC Traditional name: 4-fluoro-3-iodobenzamide
• Synonyms: 4-Fluoro-3-iodobenzamide

Database IDs

• CAS Number: 1261572-29-5
• PubChem SID: 162084617
• PubChem CID: 56604195

CALCULATED PROPERTIES

• Acid pKa: 14.011869
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8955325
• LogD (pH = 7.4): 1.8955326
• Log P: 1.8955325
• Molar Refractivity: 48.7153 cm^3
• Polarizability: 18.320095 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive