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

• ChemBase ID: 232223
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: C(=O)(c1c(N)cccc1)Nc1cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)NC(=O)c1ccccc1N
• InChI: InChI=1S/C14H14N2O/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15/h2-9H,15H2,1H3,(H,16,17)
• InChIKey: ZLUXETNDOIBMSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 22312-62-5
• MDL Number: MFCD00442835
• PubChem SID: 164288133
• PubChem CID: 2467368

CALCULATED PROPERTIES

• Acid pKa: 12.605637
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.3992844
• LogD (pH = 7.4): 3.399619
• Log P: 3.399626
• Molar Refractivity: 71.3331 cm^3
• Polarizability: 25.850714 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.842

Product Information

• Purity: 95%