N-(4-bromophenyl)-2-[2-(hydrazinecarbonyl)phenoxy]acetamide

• ChemBase ID: 230582
• Molecular Formular: C15H14BrN3O3
• Molecular Mass: 364.19396
• Monoisotopic Mass: 363.02185332
• SMILES: c1(C(=O)NN)c(OCC(=O)Nc2ccc(Br)cc2)cccc1
• Canonical SMILES: NNC(=O)c1ccccc1OCC(=O)Nc1ccc(cc1)Br
• InChI: InChI=1S/C15H14BrN3O3/c16-10-5-7-11(8-6-10)18-14(20)9-22-13-4-2-1-3-12(13)15(21)19-17/h1-8H,9,17H2,(H,18,20)(H,19,21)
• InChIKey: LZKXQYNXYANDOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-bromophenyl)-2-[2-(hydrazinecarbonyl)phenoxy]acetamide
• IUPAC Traditional name: N-(4-bromophenyl)-2-[2-(hydrazinecarbonyl)phenoxy]acetamide
• Synonyms: N-(4-Bromo-phenyl)-2-(2-hydrazinocarbonyl-phenoxy)-acetamide

Database IDs

• MDL Number: MFCD03653051
• PubChem SID: 164286492
• PubChem CID: 2375932

CALCULATED PROPERTIES

• Acid pKa: 12.517417
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.0500095
• LogD (pH = 7.4): 2.050764
• Log P: 2.050777
• Molar Refractivity: 88.0684 cm^3
• Polarizability: 32.590305 Å^3
• Polar Surface Area: 93.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.099

Product Information

• Purity: 95%