2-benzoyl-1-benzofuran-3-amine

• ChemBase ID: 255865
• Molecular Formular: C15H11NO2
• Molecular Mass: 237.25334
• Monoisotopic Mass: 237.0789786
• SMILES: c1(c(c2c(o1)cccc2)N)C(=O)c1ccccc1
• Canonical SMILES: O=C(c1oc2c(c1N)cccc2)c1ccccc1
• InChI: InChI=1S/C15H11NO2/c16-13-11-8-4-5-9-12(11)18-15(13)14(17)10-6-2-1-3-7-10/h1-9H,16H2
• InChIKey: PZLZVWMURFZVHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzoyl-1-benzofuran-3-amine
• IUPAC Traditional name: 2-benzoyl-1-benzofuran-3-amine
• Synonyms: 2-benzoyl-1-benzofuran-3-amine

Database IDs

• MDL Number: MFCD00445250
• PubChem SID: 164311775
• PubChem CID: 854225

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3327975
• LogD (pH = 7.4): 3.3327975
• Log P: 3.3327975
• Molar Refractivity: 70.0525 cm^3
• Polarizability: 27.528913 Å^3
• Polar Surface Area: 56.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.683

Product Information

• Purity: 95%