4-(2-chloroethoxy)benzamide

• ChemBase ID: 278593
• Molecular Formular: C9H10ClNO2
• Molecular Mass: 199.6342
• Monoisotopic Mass: 199.04000625
• SMILES: C(=O)(c1ccc(cc1)OCCCl)N
• Canonical SMILES: ClCCOc1ccc(cc1)C(=O)N
• InChI: InChI=1S/C9H10ClNO2/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4H,5-6H2,(H2,11,12)
• InChIKey: CVQWYCCXJPYZQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chloroethoxy)benzamide
• IUPAC Traditional name: 4-(2-chloroethoxy)benzamide
• Synonyms: 4-(2-chloroethoxy)benzamide

Database IDs

• MDL Number: MFCD11164785
• PubChem SID: 164334503
• PubChem CID: 13569171

CALCULATED PROPERTIES

• Acid pKa: 14.616735
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3307046
• LogD (pH = 7.4): 1.3307047
• Log P: 1.3307047
• Molar Refractivity: 50.9429 cm^3
• Polarizability: 19.385149 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): 1.428

Product Information

• Purity: 95%