N-[4-(furan-2-yl)phenyl]acetamide

• ChemBase ID: 91627
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: o1c(ccc1)c1ccc(cc1)NC(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1)c1ccco1
• InChI: InChI=1S/C12H11NO2/c1-9(14)13-11-6-4-10(5-7-11)12-3-2-8-15-12/h2-8H,1H3,(H,13,14)
• InChIKey: YOUVSHSXXFRORJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(furan-2-yl)phenyl]acetamide
• IUPAC Traditional name: N-[4-(furan-2-yl)phenyl]acetamide
• Synonyms: N[4-(2-Furyl)phenyl]acetamide

Database IDs

• CAS Number: 69836-64-2
• MDL Number: MFCD02069844
• PubChem SID: 162078326
• PubChem CID: 2068101

CALCULATED PROPERTIES

• Acid pKa: 13.999361
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9184282
• LogD (pH = 7.4): 1.9184281
• Log P: 1.9184282
• Molar Refractivity: 58.4481 cm^3
• Polarizability: 23.031893 Å^3
• Polar Surface Area: 42.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant