2-(4-chlorophenoxy)-N'-(propan-2-yl)acetohydrazide

• ChemBase ID: 127845
• Molecular Formular: C11H15ClN2O2
• Molecular Mass: 242.702
• Monoisotopic Mass: 242.08220541
• SMILES: Clc1ccc(OCC(=O)NNC(C)C)cc1
• Canonical SMILES: CC(NNC(=O)COc1ccc(cc1)Cl)C
• InChI: InChI=1S/C11H15ClN2O2/c1-8(2)13-14-11(15)7-16-10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15)
• InChIKey: GGECDTUJZOXAAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenoxy)-N'-(propan-2-yl)acetohydrazide
• IUPAC Traditional name: iproclozide
• Synonyms: Iproclozide

Database IDs

• CAS Number: 3544-35-2
• PubChem SID: 162222163
• PubChem CID: 19063
• ATC CODE: N06AF06
• CHEMBL: 91238
• Chemspider ID: 17998
• KEGG ID: D07338
• Unique Ingredient Identifier: 1II9D6CB3J
• Wikipedia Title: Iproclozide

CALCULATED PROPERTIES

• Acid pKa: 11.349281
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7786885
• LogD (pH = 7.4): 1.7910347
• Log P: 1.7912433
• Molar Refractivity: 73.2118 cm^3
• Polarizability: 24.73008 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled