N'-(1-phenylethyl)benzohydrazide

• ChemBase ID: 126061
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: O=C(NNC(c1ccccc1)C)c1ccccc1
• Canonical SMILES: CC(c1ccccc1)NNC(=O)c1ccccc1
• InChI: InChI=1S/C15H16N2O/c1-12(13-8-4-2-5-9-13)16-17-15(18)14-10-6-3-7-11-14/h2-12,16H,1H3,(H,17,18)
• InChIKey: BEWNZPMDJIGBED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(1-phenylethyl)benzohydrazide
• IUPAC Traditional name: benmoxine
• Synonyms: Benmoxin

Database IDs

• CAS Number: 7654-03-7
• PubChem SID: 162220402
• PubChem CID: 71671
• Chemspider ID: 64728
• Unique Ingredient Identifier: XC9FY2SGBG
• Wikipedia Title: Benmoxin

CALCULATED PROPERTIES

• Acid pKa: 14.466033
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.88663
• LogD (pH = 7.4): 2.8920648
• Log P: 2.8921347
• Molar Refractivity: 82.9794 cm^3
• Polarizability: 27.876245 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Rx-only