N-[3-(2-chlorophenoxy)propyl]-5-methoxy-N,1-dimethyl-1H-indole-2-carboxamide

• ChemBase ID: 319798
• Molecular Formular: C21H23ClN2O3
• Molecular Mass: 386.87192
• Monoisotopic Mass: 386.13972029
• SMILES: c1(n(c2c(c1)cc(cc2)OC)C)C(=O)N(CCCOc1c(Cl)cccc1)C
• Canonical SMILES: COc1ccc2c(c1)cc(n2C)C(=O)N(CCCOc1ccccc1Cl)C
• InChI: InChI=1S/C21H23ClN2O3/c1-23(11-6-12-27-20-8-5-4-7-17(20)22)21(25)19-14-15-13-16(26-3)9-10-18(15)24(19)2/h4-5,7-10,13-14H,6,11-12H2,1-3H3
• InChIKey: XELKMXXZCGVKQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-chlorophenoxy)propyl]-5-methoxy-N,1-dimethyl-1H-indole-2-carboxamide
• IUPAC Traditional name: N-[3-(2-chlorophenoxy)propyl]-5-methoxy-N,1-dimethylindole-2-carboxamide
• Synonyms: N-[3-(2-chlorophenoxy)propyl]-5-methoxy-N,1-dimethyl-1H-indole-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.66406
• LogD (pH = 7.4): 3.66406
• Log P: 3.66406
• Molar Refractivity: 107.4761 cm^3
• Polarizability: 42.165176 Å^3
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.1
• LOG S: -4.67
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 7