N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzamide

• ChemBase ID: 33220
• Molecular Formular: C15H15N3O2
• Molecular Mass: 269.2985
• Monoisotopic Mass: 269.11642674
• SMILES: C(=O)(Nc1cc(C(=O)NN)ccc1)c1ccc(cc1)C
• Canonical SMILES: NNC(=O)c1cccc(c1)NC(=O)c1ccc(cc1)C
• InChI: InChI=1S/C15H15N3O2/c1-10-5-7-11(8-6-10)14(19)17-13-4-2-3-12(9-13)15(20)18-16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
• InChIKey: VKHOIZFLOYWAOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzamide
• IUPAC Traditional name: N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzamide
• Synonyms: N-[3-(Hydrazinocarbonyl)phenyl]-4-methylbenzamide

Database IDs

• MDL Number: MFCD02226817
• PubChem SID: 160996527
• PubChem CID: 865909

CALCULATED PROPERTIES

• Acid pKa: 11.019947
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.131857
• LogD (pH = 7.4): 2.1326067
• Log P: 2.1327167
• Molar Refractivity: 80.1952 cm^3
• Polarizability: 28.955837 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