N-[3-(hydrazinecarbonyl)phenyl]benzamide

• ChemBase ID: 33212
• Molecular Formular: C14H13N3O2
• Molecular Mass: 255.27192
• Monoisotopic Mass: 255.10077667
• SMILES: C(=O)(Nc1cc(C(=O)NN)ccc1)c1ccccc1
• Canonical SMILES: NNC(=O)c1cccc(c1)NC(=O)c1ccccc1
• InChI: InChI=1S/C14H13N3O2/c15-17-14(19)11-7-4-8-12(9-11)16-13(18)10-5-2-1-3-6-10/h1-9H,15H2,(H,16,18)(H,17,19)
• InChIKey: BAUKLLQHOKRVCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(hydrazinecarbonyl)phenyl]benzamide
• IUPAC Traditional name: N-[3-(hydrazinecarbonyl)phenyl]benzamide
• Synonyms: N-[3-(Hydrazinocarbonyl)phenyl]benzamide

Database IDs

• MDL Number: MFCD01028785
• PubChem SID: 160996519
• PubChem CID: 803195

CALCULATED PROPERTIES

• Acid pKa: 10.877246
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.6184351
• LogD (pH = 7.4): 1.619147
• Log P: 1.6192952
• Molar Refractivity: 75.154 cm^3
• Polarizability: 27.192396 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