N-ethyl-4-iodobenzamide

• ChemBase ID: 277157
• Molecular Formular: C9H10INO
• Molecular Mass: 275.08627
• Monoisotopic Mass: 274.98071195
• SMILES: C(=O)(c1ccc(cc1)I)NCC
• Canonical SMILES: CCNC(=O)c1ccc(cc1)I
• InChI: InChI=1S/C9H10INO/c1-2-11-9(12)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3,(H,11,12)
• InChIKey: GWPYHDFCCRYKCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-iodobenzamide
• IUPAC Traditional name: N-ethyl-4-iodobenzamide
• Synonyms: N-ethyl-4-iodobenzamide

Database IDs

• MDL Number: MFCD03703872
• PubChem SID: 164333067
• PubChem CID: 875746

CALCULATED PROPERTIES

• Acid pKa: 14.810228
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3333144
• LogD (pH = 7.4): 2.3333147
• Log P: 2.3333147
• Molar Refractivity: 58.1442 cm^3
• Polarizability: 22.012686 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148 - 150°C
• Hydrophobicity(logP): 2.715

Product Information

• Purity: 95%