2-iodo-5-methoxybenzamide

• ChemBase ID: 292373
• Molecular Formular: C8H8INO2
• Molecular Mass: 277.05909
• Monoisotopic Mass: 276.9599765
• SMILES: COc1cc(C(=O)N)c(I)cc1
• Canonical SMILES: COc1ccc(c(c1)C(=O)N)I
• InChI: InChI=1S/C8H8INO2/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H2,10,11)
• InChIKey: DFGTVVIWDKCBPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-5-methoxybenzamide
• IUPAC Traditional name: 2-iodo-5-methoxybenzamide
• Synonyms: 2-Iodo-5-methoxybenzamide

Database IDs

• CAS Number: 1130283-73-6
• PubChem SID: 180677904
• PubChem CID: 70701073

CALCULATED PROPERTIES

• Acid pKa: 12.830211
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5951592
• LogD (pH = 7.4): 1.5951607
• Log P: 1.5951593
• Molar Refractivity: 54.9621 cm^3
• Polarizability: 20.982027 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%