methyl 2-(3-methoxybenzamido)benzoate

• ChemBase ID: 192173
• Molecular Formular: C16H15NO4
• Molecular Mass: 285.2946
• Monoisotopic Mass: 285.10010797
• SMILES: c1(c(NC(=O)c2cc(OC)ccc2)cccc1)C(=O)OC
• Canonical SMILES: COc1cccc(c1)C(=O)Nc1ccccc1C(=O)OC
• InChI: InChI=1S/C16H15NO4/c1-20-12-7-5-6-11(10-12)15(18)17-14-9-4-3-8-13(14)16(19)21-2/h3-10H,1-2H3,(H,17,18)
• InChIKey: JOSFHLUTLFZGFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(3-methoxybenzamido)benzoate
• IUPAC Traditional name: methyl 2-(3-methoxybenzamido)benzoate

Database IDs

• PubChem SID: 164248083
• PubChem CID: 669426

CALCULATED PROPERTIES

• Acid pKa: 10.522642
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5609324
• LogD (pH = 7.4): 3.5606253
• Log P: 3.5609362
• Molar Refractivity: 80.08 cm^3
• Polarizability: 29.881716 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds