2-amino-N-[(3-methylphenyl)methyl]benzamide

• ChemBase ID: 312090
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: c1(C(=O)NCc2cc(ccc2)C)c(N)cccc1
• Canonical SMILES: Cc1cccc(c1)CNC(=O)c1ccccc1N
• InChI: InChI=1S/C15H16N2O/c1-11-5-4-6-12(9-11)10-17-15(18)13-7-2-3-8-14(13)16/h2-9H,10,16H2,1H3,(H,17,18)
• InChIKey: BRZWUEDKXGVXDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[(3-methylphenyl)methyl]benzamide
• IUPAC Traditional name: 2-amino-N-[(3-methylphenyl)methyl]benzamide
• Synonyms: 2-amino-N-(3-methylbenzyl)benzamide

Database IDs

• CAS Number: 717893-10-2
• MDL Number: MFCD06003243

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1055133
• LogD (pH = 7.4): 3.1065178
• Log P: 3.1065307
• Molar Refractivity: 74.3873 cm^3
• Polarizability: 27.50697 Å^3
• Polar Surface Area: 55.12 Å^2