N'-benzoyl-N,N'-dimethylbenzohydrazide

• ChemBase ID: 71603
• Molecular Formular: C16H16N2O2
• Molecular Mass: 268.31044
• Monoisotopic Mass: 268.12117776
• SMILES: N(N(C(=O)c1ccccc1)C)(C(=O)c1ccccc1)C
• Canonical SMILES: CN(C(=O)c1ccccc1)N(C(=O)c1ccccc1)C
• InChI: InChI=1S/C16H16N2O2/c1-17(15(19)13-9-5-3-6-10-13)18(2)16(20)14-11-7-4-8-12-14/h3-12H,1-2H3
• InChIKey: PQEZHJRKUSZEBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-benzoyl-N,N'-dimethylbenzohydrazide
• IUPAC Traditional name: N'-benzoyl-N,N'-dimethylbenzohydrazide
• Synonyms: N'-Benzoyl-N,N'-dimethylbenzohydrazide

Database IDs

• CAS Number: 1226-43-3
• MDL Number: MFCD00020672
• PubChem SID: 162037091
• PubChem CID: 71044

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5359633
• LogD (pH = 7.4): 2.5359633
• Log P: 2.5359633
• Molar Refractivity: 78.4662 cm^3
• Polarizability: 29.264452 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT