2-amino-N-(2,5-dimethylphenyl)benzamide

• ChemBase ID: 311262
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: C(=O)(c1c(N)cccc1)Nc1c(ccc(c1)C)C
• Canonical SMILES: Cc1ccc(c(c1)NC(=O)c1ccccc1N)C
• InChI: InChI=1S/C15H16N2O/c1-10-7-8-11(2)14(9-10)17-15(18)12-5-3-4-6-13(12)16/h3-9H,16H2,1-2H3,(H,17,18)
• InChIKey: PFVFIDOVWVGKFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2,5-dimethylphenyl)benzamide
• IUPAC Traditional name: 2-amino-N-(2,5-dimethylphenyl)benzamide
• Synonyms: 2-amino-N-(2,5-dimethylphenyl)benzamide

Database IDs

• CAS Number: 102630-80-8
• MDL Number: MFCD01995805

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.9126823
• LogD (pH = 7.4): 3.9130428
• Log P: 3.9130476
• Molar Refractivity: 76.3743 cm^3
• Polarizability: 27.616917 Å^3
• Polar Surface Area: 55.12 Å^2