7-chloro-N-cyclopropyl-3,5-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide

• ChemBase ID: 465465
• Molecular Formular: C20H19ClN2O2
• Molecular Mass: 354.83006
• Monoisotopic Mass: 354.11350554
• SMILES: c1(C(=O)N(C2CC2)Cc2ncccc2)c(c2c(o1)c(cc(c2)C)Cl)C
• Canonical SMILES: Cc1cc(Cl)c2c(c1)c(C)c(o2)C(=O)N(C1CC1)Cc1ccccn1
• InChI: InChI=1S/C20H19ClN2O2/c1-12-9-16-13(2)18(25-19(16)17(21)10-12)20(24)23(15-6-7-15)11-14-5-3-4-8-22-14/h3-5,8-10,15H,6-7,11H2,1-2H3
• InChIKey: WFMMARAJTLWZFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-N-cyclopropyl-3,5-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
• IUPAC Traditional name: 7-chloro-N-cyclopropyl-3,5-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
• Synonyms: 7-chloro-N-cyclopropyl-3,5-dimethyl-N-(2-pyridinylmethyl)-1-benzofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.0174274
• LogD (pH = 7.4): 4.03486
• Log P: 4.035087
• Molar Refractivity: 97.6803 cm^3
• Polarizability: 38.29665 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.68
• LOG S: -2.78
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 4