3-amino-N-ethyl-N-phenylbenzamide

• ChemBase ID: 23321
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: C(=O)(N(c1ccccc1)CC)c1cc(N)ccc1
• Canonical SMILES: CCN(C(=O)c1cccc(c1)N)c1ccccc1
• InChI: InChI=1S/C15H16N2O/c1-2-17(14-9-4-3-5-10-14)15(18)12-7-6-8-13(16)11-12/h3-11H,2,16H2,1H3
• InChIKey: OCIBKKXEWNLBOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-ethyl-N-phenylbenzamide
• IUPAC Traditional name: 3-amino-N-ethyl-N-phenylbenzamide
• Synonyms: 3-Amino-N-ethyl-N-phenylbenzamide

Database IDs

• CAS Number: 875837-45-9
• MDL Number: MFCD08691808
• PubChem SID: 160986628
• PubChem CID: 16786771

CALCULATED PROPERTIES

• Log P: 2.4570787
• Molar Refractivity: 74.1564 cm^3
• Polarizability: 27.772581 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4551792
• LogD (pH = 7.4): 2.4570546

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false