1-(5-fluoropentyl)-3-(naphthalene-1-carbonyl)-6-nitro-1H-indole

• ChemBase ID: 125765
• Molecular Formular: C24H21FN2O3
• Molecular Mass: 404.4335432
• Monoisotopic Mass: 404.15362076
• SMILES: c12ccccc1cccc2C(=O)c1cn(c2c1ccc([N+](=O)[O-])c2)CCCCCF
• Canonical SMILES: FCCCCCn1cc(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc2c1cccc2
• InChI: InChI=1S/C24H21FN2O3/c25-13-4-1-5-14-26-16-22(20-12-11-18(27(29)30)15-23(20)26)24(28)21-10-6-8-17-7-2-3-9-19(17)21/h2-3,6-12,15-16H,1,4-5,13-14H2
• InChIKey: LNGVQORPSNNMSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-fluoropentyl)-3-(naphthalene-1-carbonyl)-6-nitro-1H-indole
• IUPAC Traditional name: 1-(5-fluoropentyl)-3-(naphthalene-1-carbonyl)-6-nitroindole
• Synonyms: AM-1235

Database IDs

• CAS Number: 335161-27-8
• PubChem SID: 162220112
• PubChem CID: 57458897
• Chemspider ID: 26633899
• Wikipedia Title: AM-1235

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.9073787
• LogD (pH = 7.4): 5.9073787
• Log P: 5.9073787
• Molar Refractivity: 115.1028 cm^3
• Polarizability: 45.371086 Å^3
• Polar Surface Area: 67.82 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false