N-(4-methylphenyl)benzamide

• ChemBase ID: 109005
• Molecular Formular: C14H13NO
• Molecular Mass: 211.25912
• Monoisotopic Mass: 211.09971404
• SMILES: Cc1ccc(NC(=O)c2ccccc2)cc1
• Canonical SMILES: Cc1ccc(cc1)NC(=O)c1ccccc1
• InChI: InChI=1S/C14H13NO/c1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)
• InChIKey: YUIHXKGKVSVIEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methylphenyl)benzamide
• IUPAC Traditional name: N-p-tolyl-benzamide
• Synonyms: BENZO-p-TOLUIDIDE

Database IDs

• CAS Number: 582-78-5
• PubChem SID: 162094482
• PubChem CID: 68497

CALCULATED PROPERTIES

• Acid pKa: 12.322055
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.578552
• LogD (pH = 7.4): 3.578547
• Log P: 3.578552
• Molar Refractivity: 66.6327 cm^3
• Polarizability: 24.723484 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05209508

MP Biomedicals Rare Chemical collection