2-(4-fluorobenzoyl)-1-benzofuran-3-amine

• ChemBase ID: 14197
• Molecular Formular: C15H10FNO2
• Molecular Mass: 255.2438032
• Monoisotopic Mass: 255.06955679
• SMILES: c12c(oc(c1N)C(=O)c1ccc(cc1)F)cccc2
• Canonical SMILES: Fc1ccc(cc1)C(=O)c1oc2c(c1N)cccc2
• InChI: InChI=1S/C15H10FNO2/c16-10-7-5-9(6-8-10)14(18)15-13(17)11-3-1-2-4-12(11)19-15/h1-8H,17H2
• InChIKey: ZJOADABWGYOXRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorobenzoyl)-1-benzofuran-3-amine
• IUPAC Traditional name: 2-(4-fluorobenzoyl)-1-benzofuran-3-amine
• Synonyms: (3-Amino-1-benzofuran-2-yl)-(4-fluorophenyl)methanone

Database IDs

• MDL Number: MFCD00760834
• PubChem SID: 160977504
• PubChem CID: 620323

CALCULATED PROPERTIES

• LogD (pH = 5.5): 3.4754994
• LogD (pH = 7.4): 3.4754994
• Log P: 3.4754994
• Molar Refractivity: 70.2689 cm^3
• Polarizability: 27.143688 Å^3
• Polar Surface Area: 56.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false