N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide

• ChemBase ID: 193687
• Molecular Formular: C18H15NO4
• Molecular Mass: 309.316
• Monoisotopic Mass: 309.10010797
• SMILES: c1(c(c2c(o1)cccc2)NC(=O)C)C(=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)c1oc2c(c1NC(=O)C)cccc2
• InChI: InChI=1S/C18H15NO4/c1-11(20)19-16-14-5-3-4-6-15(14)23-18(16)17(21)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,19,20)
• InChIKey: NQZBUYPGHZTWIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide
• IUPAC Traditional name: N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide

Database IDs

• PubChem SID: 164249597
• PubChem CID: 906598

CALCULATED PROPERTIES

• Acid pKa: 11.1836815
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2417617
• LogD (pH = 7.4): 3.2416947
• Log P: 3.2417624
• Molar Refractivity: 86.6783 cm^3
• Polarizability: 33.759453 Å^3
• Polar Surface Area: 68.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds