2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

• ChemBase ID: 26926
• Molecular Formular: C10H11Cl2NO3
• Molecular Mass: 264.10524
• Monoisotopic Mass: 263.01159858
• SMILES: c1(cc(c(cc1OC)Cl)OC)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1cc(OC)c(cc1OC)Cl
• InChI: InChI=1S/C10H11Cl2NO3/c1-15-8-4-7(13-10(14)5-11)9(16-2)3-6(8)12/h3-4H,5H2,1-2H3,(H,13,14)
• InChIKey: YPJMTYOWJCAHSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
• Synonyms: 2-Chloro-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

Database IDs

• CAS Number: 448250-64-4
• MDL Number: MFCD01034345
• PubChem SID: 160990233
• PubChem CID: 3752628

CALCULATED PROPERTIES

• Acid pKa: 11.794417
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0370018
• LogD (pH = 7.4): 2.0369854
• Log P: 2.037002
• Molar Refractivity: 63.4054 cm^3
• Polarizability: 24.097345 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.909

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%