N'-benzyl-2-chloro-N'-phenylacetohydrazide

• ChemBase ID: 251262
• Molecular Formular: C15H15ClN2O
• Molecular Mass: 274.7454
• Monoisotopic Mass: 274.08729079
• SMILES: N(NC(=O)CCl)(Cc1ccccc1)c1ccccc1
• Canonical SMILES: ClCC(=O)NN(c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C15H15ClN2O/c16-11-15(19)17-18(14-9-5-2-6-10-14)12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,19)
• InChIKey: PAYXMJQZBOZSAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-benzyl-2-chloro-N'-phenylacetohydrazide
• IUPAC Traditional name: N'-benzyl-2-chloro-N'-phenylacetohydrazide
• Synonyms: N'-benzyl-2-chloro-N'-phenylacetohydrazide

Database IDs

• MDL Number: MFCD07309992
• PubChem SID: 164307172
• PubChem CID: 4848386

CALCULATED PROPERTIES

• Acid pKa: 12.035654
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3806472
• LogD (pH = 7.4): 3.3806388
• Log P: 3.380648
• Molar Refractivity: 87.3176 cm^3
• Polarizability: 29.604254 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85 - 90°C
• Hydrophobicity(logP): 3.258

Product Information

• Purity: 95%