3-(4-ethylnaphthalene-1-carbonyl)-1-(5-fluoropentyl)-1H-indole

• ChemBase ID: 127207
• Molecular Formular: C26H26FNO
• Molecular Mass: 387.4891432
• Monoisotopic Mass: 387.19984268
• SMILES: CCc1c2ccccc2c(cc1)C(=O)c1cn(CCCCCF)c2c1cccc2
• Canonical SMILES: FCCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)CC
• InChI: InChI=1S/C26H26FNO/c1-2-19-14-15-23(21-11-5-4-10-20(19)21)26(29)24-18-28(17-9-3-8-16-27)25-13-7-6-12-22(24)25/h4-7,10-15,18H,2-3,8-9,16-17H2,1H3
• InChIKey: NSCXPXDWLZORPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-ethylnaphthalene-1-carbonyl)-1-(5-fluoropentyl)-1H-indole
• IUPAC Traditional name: 3-(4-ethylnaphthalene-1-carbonyl)-1-(5-fluoropentyl)indole
• Synonyms: EAM-2201

Database IDs

• CAS Number: 1364933-60-7
• PubChem SID: 162221529
• PubChem CID: 71308187
• Wikipedia Title: EAM-2201

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.9253845
• LogD (pH = 7.4): 6.9253845
• Log P: 6.9253845
• Molar Refractivity: 117.4203 cm^3
• Polarizability: 47.2173 Å^3
• Polar Surface Area: 22.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Pharmacology Properties

• Legal Status: Temporary Class Drug (NZ)