N-butyl-4-chloro-2-hydroxybenzamide

• ChemBase ID: 284770
• Molecular Formular: C11H14ClNO2
• Molecular Mass: 227.68736
• Monoisotopic Mass: 227.07130637
• SMILES: c1(c(cc(cc1)Cl)O)C(=O)NCCCC
• Canonical SMILES: CCCCNC(=O)c1ccc(cc1O)Cl
• InChI: InChI=1S/C11H14ClNO2/c1-2-3-6-13-11(15)9-5-4-8(12)7-10(9)14/h4-5,7,14H,2-3,6H2,1H3,(H,13,15)
• InChIKey: ZGJHIFYEQJEUKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-4-chloro-2-hydroxybenzamide
• IUPAC Traditional name: buclosamide
• Synonyms: N-butyl-4-chloro-2-hydroxybenzamide

Database IDs

• MDL Number: MFCD00865617
• PubChem SID: 180670301
• PubChem CID: 68466

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): 3.3171632
• LogD (pH = 7.4): 3.04947
• Log P: 3.3219407
• Molar Refractivity: 60.6924 cm^3
• Polarizability: 23.031582 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 7.452832
• H Acceptors: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.948

Product Information

• Purity: 95%