N-(4-iodo-3-methoxyphenyl)acetamide

• ChemBase ID: 273439
• Molecular Formular: C9H10INO2
• Molecular Mass: 291.08567
• Monoisotopic Mass: 290.97562657
• SMILES: c1c(c(ccc1NC(=O)C)I)OC
• Canonical SMILES: COc1cc(ccc1I)NC(=O)C
• InChI: InChI=1S/C9H10INO2/c1-6(12)11-7-3-4-8(10)9(5-7)13-2/h3-5H,1-2H3,(H,11,12)
• InChIKey: YFVRLMPECJRYMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-iodo-3-methoxyphenyl)acetamide
• IUPAC Traditional name: N-(4-iodo-3-methoxyphenyl)acetamide
• Synonyms: N-(4-iodo-3-methoxyphenyl)acetamide

Database IDs

• MDL Number: MFCD18483341
• PubChem SID: 164329349
• PubChem CID: 52908304

CALCULATED PROPERTIES

• Acid pKa: 13.894214
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9822294
• LogD (pH = 7.4): 1.9822292
• Log P: 1.9822294
• Molar Refractivity: 60.7467 cm^3
• Polarizability: 22.968996 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138 - 140°C
• Hydrophobicity(logP): 2.277

Product Information

• Purity: 95%