3-amino-4-[benzyl(methyl)amino]benzamide

• ChemBase ID: 120796
• Molecular Formular: C15H17N3O
• Molecular Mass: 255.31498
• Monoisotopic Mass: 255.13716218
• SMILES: c1(N(Cc2ccccc2)C)c(cc(C(=O)N)cc1)N
• Canonical SMILES: CN(c1ccc(cc1N)C(=O)N)Cc1ccccc1
• InChI: InChI=1S/C15H17N3O/c1-18(10-11-5-3-2-4-6-11)14-8-7-12(15(17)19)9-13(14)16/h2-9H,10,16H2,1H3,(H2,17,19)
• InChIKey: DKYVCKMAKPFZOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-[benzyl(methyl)amino]benzamide
• IUPAC Traditional name: 3-amino-4-[benzyl(methyl)amino]benzamide
• Synonyms: 3-amino-4-(benzyl(methyl)amino)benzamide

Database IDs

• PubChem SID: 162215149
• PubChem CID: 43448296

CALCULATED PROPERTIES

• Acid pKa: 15.388564
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8261188
• LogD (pH = 7.4): 1.82746
• Log P: 1.8274771
• Molar Refractivity: 78.878 cm^3
• Polarizability: 28.71503 Å^3
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true