4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide

• ChemBase ID: 311084
• Molecular Formular: C16H16INO2
• Molecular Mass: 381.20821
• Monoisotopic Mass: 381.02257676
• SMILES: C(=O)(Nc1c(cc(cc1)I)C)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)C(=O)Nc1ccc(cc1C)I
• InChI: InChI=1S/C16H16INO2/c1-3-20-14-7-4-12(5-8-14)16(19)18-15-9-6-13(17)10-11(15)2/h4-10H,3H2,1-2H3,(H,18,19)
• InChIKey: HHXWBFMHGFSOQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
• IUPAC Traditional name: 4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
• Synonyms: 4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide

Database IDs

• CAS Number: 418790-72-4
• MDL Number: MFCD01309866

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.706633
• LogD (pH = 7.4): 4.706633
• Log P: 4.706633
• Molar Refractivity: 91.207 cm^3
• Polarizability: 34.102757 Å^3
• Polar Surface Area: 38.33 Å^2