N-[4-iodo-2-(propan-2-yl)phenyl]benzamide

• ChemBase ID: 311894
• Molecular Formular: C16H16INO
• Molecular Mass: 365.20881
• Monoisotopic Mass: 365.02766214
• SMILES: C(=O)(Nc1c(cc(cc1)I)C(C)C)c1ccccc1
• Canonical SMILES: Ic1ccc(c(c1)C(C)C)NC(=O)c1ccccc1
• InChI: InChI=1S/C16H16INO/c1-11(2)14-10-13(17)8-9-15(14)18-16(19)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)
• InChIKey: MAAGIOOCFUKYCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-iodo-2-(propan-2-yl)phenyl]benzamide
• IUPAC Traditional name: N-(4-iodo-2-isopropylphenyl)benzamide
• Synonyms: N-(4-iodo-2-isopropylphenyl)benzamide

Database IDs

• CAS Number: 509114-15-2
• MDL Number: MFCD03712552

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.2390842
• LogD (pH = 7.4): 5.2390842
• Log P: 5.2390842
• Molar Refractivity: 89.1448 cm^3
• Polarizability: 33.3749 Å^3
• Polar Surface Area: 29.1 Å^2