N-benzyl-2-(methylamino)benzamide

• ChemBase ID: 21548
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: c1(C(=O)NCc2ccccc2)c(NC)cccc1
• Canonical SMILES: CNc1ccccc1C(=O)NCc1ccccc1
• InChI: InChI=1S/C15H16N2O/c1-16-14-10-6-5-9-13(14)15(18)17-11-12-7-3-2-4-8-12/h2-10,16H,11H2,1H3,(H,17,18)
• InChIKey: ZZBQSMGHRZEZIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(methylamino)benzamide
• IUPAC Traditional name: N-benzyl-2-(methylamino)benzamide
• Synonyms: N-Benzyl-2-(methylamino)benzamide

Database IDs

• MDL Number: MFCD01196807
• PubChem SID: 160984855
• PubChem CID: 521711

CALCULATED PROPERTIES

• Acid pKa: 15.347828
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8940313
• LogD (pH = 7.4): 2.8948035
• Log P: 2.8948135
• Molar Refractivity: 74.8395 cm^3
• Polarizability: 27.585243 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false