2-amino-N-ethyl-N-phenylbenzamide

• ChemBase ID: 21936
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: C(=O)(c1c(N)cccc1)N(c1ccccc1)CC
• Canonical SMILES: CCN(C(=O)c1ccccc1N)c1ccccc1
• InChI: InChI=1S/C15H16N2O/c1-2-17(12-8-4-3-5-9-12)15(18)13-10-6-7-11-14(13)16/h3-11H,2,16H2,1H3
• InChIKey: ZUZWUZRAIHASNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08728061
• PubChem SID: 160985243
• PubChem CID: 16641285

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 3.106749
• LogD (pH = 7.4): 3.1070745
• Log P: 3.1070788
• Molar Refractivity: 74.1564 cm^3
• Polarizability: 27.773706 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 19.999575
• H Acceptors: 2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false