5-amino-2-[benzyl(methyl)amino]benzamide

• ChemBase ID: 121253
• Molecular Formular: C15H17N3O
• Molecular Mass: 255.31498
• Monoisotopic Mass: 255.13716218
• SMILES: c1(c(N(Cc2ccccc2)C)ccc(c1)N)C(=O)N
• Canonical SMILES: Nc1ccc(c(c1)C(=O)N)N(Cc1ccccc1)C
• InChI: InChI=1S/C15H17N3O/c1-18(10-11-5-3-2-4-6-11)14-8-7-12(16)9-13(14)15(17)19/h2-9H,10,16H2,1H3,(H2,17,19)
• InChIKey: ARZXUGWAGBIGAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-[benzyl(methyl)amino]benzamide
• IUPAC Traditional name: 5-amino-2-[benzyl(methyl)amino]benzamide
• Synonyms: 5-amino-2-(benzyl(methyl)amino)benzamide

Database IDs

• PubChem SID: 162215606
• PubChem CID: 60181607

CALCULATED PROPERTIES

• Acid pKa: 14.941382
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7456588
• LogD (pH = 7.4): 1.8263439
• Log P: 1.8274771
• Molar Refractivity: 78.878 cm^3
• Polarizability: 28.715363 Å^3
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true