2-methyl-N-(3-methylphenyl)benzamide

• ChemBase ID: 291842
• Molecular Formular: C15H15NO
• Molecular Mass: 225.2857
• Monoisotopic Mass: 225.11536411
• SMILES: Cc1cc(NC(=O)c2ccccc2C)ccc1
• Canonical SMILES: Cc1cccc(c1)NC(=O)c1ccccc1C
• InChI: InChI=1S/C15H15NO/c1-11-6-5-8-13(10-11)16-15(17)14-9-4-3-7-12(14)2/h3-10H,1-2H3,(H,16,17)
• InChIKey: UEOKUJAEEOJMST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-(3-methylphenyl)benzamide
• IUPAC Traditional name: 2-methyl-N-(3-methylphenyl)benzamide
• Synonyms: 2-Methyl-N-(m-tolyl)benzamide

Database IDs

• CAS Number: 56776-45-5
• MDL Number: MFCD00441494
• PubChem SID: 180677373
• PubChem CID: 95290

CALCULATED PROPERTIES

• Acid pKa: 12.53159
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.0919733
• LogD (pH = 7.4): 4.0919704
• Log P: 4.0919733
• Molar Refractivity: 71.6739 cm^3
• Polarizability: 26.491177 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%