2-amino-5-chloro-N'-phenylbenzohydrazide

• ChemBase ID: 81453
• Molecular Formular: C13H12ClN3O
• Molecular Mass: 261.70688
• Monoisotopic Mass: 261.0668897
• SMILES: N(C(=O)c1cc(ccc1N)Cl)Nc1ccccc1
• Canonical SMILES: Clc1ccc(c(c1)C(=O)NNc1ccccc1)N
• InChI: InChI=1S/C13H12ClN3O/c14-9-6-7-12(15)11(8-9)13(18)17-16-10-4-2-1-3-5-10/h1-8,16H,15H2,(H,17,18)
• InChIKey: RTDRHIWNISFUHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-chloro-N'-phenylbenzohydrazide
• IUPAC Traditional name: 2-amino-5-chloro-N'-phenylbenzohydrazide
• Synonyms: 2-amino-5-chloro-N'-phenylbenzohydrazide

Database IDs

• MDL Number: MFCD01935210
• PubChem SID: 162068572
• PubChem CID: 2777351

CALCULATED PROPERTIES

• Acid pKa: 14.038512
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 3.3510675
• LogD (pH = 7.4): 3.351206
• Log P: 3.351208
• Molar Refractivity: 74.3222 cm^3
• Polarizability: 26.895046 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true