2-chloro-N-[3-(hydrazinecarbonyl)phenyl]benzamide

• ChemBase ID: 33217
• Molecular Formular: C14H12ClN3O2
• Molecular Mass: 289.71698
• Monoisotopic Mass: 289.06180432
• SMILES: C(=O)(c1c(Cl)cccc1)Nc1cc(C(=O)NN)ccc1
• Canonical SMILES: NNC(=O)c1cccc(c1)NC(=O)c1ccccc1Cl
• InChI: InChI=1S/C14H12ClN3O2/c15-12-7-2-1-6-11(12)14(20)17-10-5-3-4-9(8-10)13(19)18-16/h1-8H,16H2,(H,17,20)(H,18,19)
• InChIKey: YPZUEZIWOGKFLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[3-(hydrazinecarbonyl)phenyl]benzamide
• IUPAC Traditional name: 2-chloro-N-[3-(hydrazinecarbonyl)phenyl]benzamide
• Synonyms: 2-Chloro-N-[3-(hydrazinocarbonyl)phenyl]benzamide

Database IDs

• MDL Number: MFCD02255612
• PubChem SID: 160996524
• PubChem CID: 25219118

CALCULATED PROPERTIES

• Acid pKa: 10.4149275
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.2224765
• LogD (pH = 7.4): 2.2229307
• Log P: 2.2233398
• Molar Refractivity: 79.9588 cm^3
• Polarizability: 29.101116 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false