2-amino-N-methyl-N-phenylbenzamide

• ChemBase ID: 56037
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: C(=O)(c1c(N)cccc1)N(c1ccccc1)C
• Canonical SMILES: Nc1ccccc1C(=O)N(c1ccccc1)C
• InChI: InChI=1S/C14H14N2O/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15/h2-10H,15H2,1H3
• InChIKey: PAAMPFHGRZZYDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methyl-N-phenylbenzamide
• IUPAC Traditional name: 2-amino-N-methyl-N-phenylbenzamide
• Synonyms: 2-Amino-N-methyl-N-phenylbenzamide

Database IDs

• CAS Number: 6632-37-7
• MDL Number: MFCD00443942
• PubChem SID: 162060800
• PubChem CID: 245577

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7499533
• LogD (pH = 7.4): 2.7502668
• Log P: 2.7502708
• Molar Refractivity: 69.4078 cm^3
• Polarizability: 25.928696 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false