2-amino-N-[(2-methoxyphenyl)methyl]benzamide

• ChemBase ID: 123253
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: c1(C(=O)NCc2c(OC)cccc2)c(N)cccc1
• Canonical SMILES: COc1ccccc1CNC(=O)c1ccccc1N
• InChI: InChI=1S/C15H16N2O2/c1-19-14-9-5-2-6-11(14)10-17-15(18)12-7-3-4-8-13(12)16/h2-9H,10,16H2,1H3,(H,17,18)
• InChIKey: BNNORHPAWLVESS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[(2-methoxyphenyl)methyl]benzamide
• IUPAC Traditional name: 2-amino-N-[(2-methoxyphenyl)methyl]benzamide
• Synonyms: 2-amino-N-(2-methoxybenzyl)benzamide

Database IDs

• PubChem SID: 162217606
• PubChem CID: 2224559

CALCULATED PROPERTIES

• Acid pKa: 15.324382
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.434634
• LogD (pH = 7.4): 2.435428
• Log P: 2.4354382
• Molar Refractivity: 75.8093 cm^3
• Polarizability: 28.249899 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true