N-{3-[(1E)-1-(hydroxyimino)ethyl]phenyl}benzamide

• ChemBase ID: 256484
• Molecular Formular: C15H14N2O2
• Molecular Mass: 254.28386
• Monoisotopic Mass: 254.1055277
• SMILES: C(=O)(Nc1cc(/C(=N/O)/C)ccc1)c1ccccc1
• Canonical SMILES: O/N=C(/c1cccc(c1)NC(=O)c1ccccc1)\C
• InChI: InChI=1S/C15H14N2O2/c1-11(17-19)13-8-5-9-14(10-13)16-15(18)12-6-3-2-4-7-12/h2-10,19H,1H3,(H,16,18)/b17-11+
• InChIKey: OQRLONBSUPFJKF-GZTJUZNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[(1E)-1-(hydroxyimino)ethyl]phenyl}benzamide
• IUPAC Traditional name: N-{3-[(1E)-1-(hydroxyimino)ethyl]phenyl}benzamide
• Synonyms: N-{3-[N-hydroxyethanimidoyl]phenyl}benzamide

Database IDs

• MDL Number: MFCD09929271
• PubChem SID: 164312394
• PubChem CID: 24691047

CALCULATED PROPERTIES

• Acid pKa: 8.312943
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.6313725
• LogD (pH = 7.4): 2.582411
• Log P: 2.632258
• Molar Refractivity: 75.816 cm^3
• Polarizability: 28.02249 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.855

Product Information

• Purity: 95%