4-amino-N-ethyl-N-phenylbenzamide

• ChemBase ID: 23391
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: C(=O)(N(c1ccccc1)CC)c1ccc(N)cc1
• Canonical SMILES: CCN(C(=O)c1ccc(cc1)N)c1ccccc1
• InChI: InChI=1S/C15H16N2O/c1-2-17(14-6-4-3-5-7-14)15(18)12-8-10-13(16)11-9-12/h3-11H,2,16H2,1H3
• InChIKey: CQVXDHAQPYPAEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-ethyl-N-phenylbenzamide
• IUPAC Traditional name: 4-amino-N-ethyl-N-phenylbenzamide
• Synonyms: 4-Amino-N-ethyl-N-phenylbenzamide

Database IDs

• CAS Number: 65270-05-5
• MDL Number: MFCD00504351
• PubChem SID: 160986698
• PubChem CID: 577841

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.455961
• LogD (pH = 7.4): 2.4570646
• Log P: 2.4570787
• Molar Refractivity: 74.1564 cm^3
• Polarizability: 27.771776 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false