2-chloro-N-(5-chloro-2-hydroxyphenyl)propanamide

• ChemBase ID: 29922
• Molecular Formular: C9H9Cl2NO2
• Molecular Mass: 234.07926
• Monoisotopic Mass: 233.00103389
• SMILES: C(=O)(C(C)Cl)Nc1c(ccc(c1)Cl)O
• Canonical SMILES: O=C(C(Cl)C)Nc1cc(Cl)ccc1O
• InChI: InChI=1S/C9H9Cl2NO2/c1-5(10)9(14)12-7-4-6(11)2-3-8(7)13/h2-5,13H,1H3,(H,12,14)
• InChIKey: YDWYALVTNUGOTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(5-chloro-2-hydroxyphenyl)propanamide
• IUPAC Traditional name: 2-chloro-N-(5-chloro-2-hydroxyphenyl)propanamide
• Synonyms: 2-Chloro-N-(5-chloro-2-hydroxyphenyl)propanamide

Database IDs

• MDL Number: MFCD02662255
• PubChem SID: 160993229
• PubChem CID: 4139396

CALCULATED PROPERTIES

• Acid pKa: 8.234196
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.6167488
• LogD (pH = 7.4): 2.5586054
• Log P: 2.6175437
• Molar Refractivity: 56.9538 cm^3
• Polarizability: 21.449726 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%