N-(3-iodophenyl)-2-methoxybenzamide

• ChemBase ID: 300428
• Molecular Formular: C14H12INO2
• Molecular Mass: 353.15505
• Monoisotopic Mass: 352.99127663
• SMILES: COc1ccccc1C(=O)Nc1cccc(c1)I
• Canonical SMILES: COc1ccccc1C(=O)Nc1cccc(c1)I
• InChI: InChI=1S/C14H12INO2/c1-18-13-8-3-2-7-12(13)14(17)16-11-6-4-5-10(15)9-11/h2-9H,1H3,(H,16,17)
• InChIKey: LVBMGRDRRRGVRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-iodophenyl)-2-methoxybenzamide
• IUPAC Traditional name: N-(3-iodophenyl)-2-methoxybenzamide
• Synonyms: N-(3-Iodophenyl)-2-methoxybenzamide

Database IDs

• CAS Number: 876539-66-1
• MDL Number: MFCD04681238

CALCULATED PROPERTIES

• Acid pKa: 13.0697975
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8364038
• LogD (pH = 7.4): 3.836403
• Log P: 3.8364038
• Molar Refractivity: 81.4172 cm^3
• Polarizability: 30.534643 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%