N-ethylbenzamide

• ChemBase ID: 110255
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: CCNC(=O)c1ccccc1
• Canonical SMILES: CCNC(=O)c1ccccc1
• InChI: InChI=1S/C9H11NO/c1-2-10-9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
• InChIKey: SDIDYFBTIZOPLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylbenzamide
• IUPAC Traditional name: benzamide, N-ethyl-
• Synonyms: N-ETHYLBENZAMIDE

Database IDs

• CAS Number: 614-17-5
• PubChem SID: 162095858
• PubChem CID: 11959

CALCULATED PROPERTIES

• Acid pKa: 15.012886
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.40437
• LogD (pH = 7.4): 1.4043701
• Log P: 1.4043702
• Molar Refractivity: 44.7817 cm^3
• Polarizability: 16.841103 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: CV4920000