1-[5-fluoro(1,1,5,5-2H4)pentyl]-3-(4-methylnaphthalene-1-carbonyl)-1H-indole

• ChemBase ID: 173076
• Molecular Formular: C25H24FNO
• Molecular Mass: 373.4625632
• Monoisotopic Mass: 373.18419261
• SMILES: c1ccc2c(c1)c(cn2CCCCCF)C(=O)c1c2c(c(cc1)C)cccc2
• Canonical SMILES: FCCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)C
• InChI: InChI=1S/C25H24FNO/c1-18-13-14-22(20-10-4-3-9-19(18)20)25(28)23-17-27(16-8-2-7-15-26)24-12-6-5-11-21(23)24/h3-6,9-14,17H,2,7-8,15-16H2,1H3
• InChIKey: IGBHZHCGWLHBAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-fluoro(1,1,5,5-^2H₄)pentyl]-3-(4-methylnaphthalene-1-carbonyl)-1H-indole
• IUPAC Traditional name: 1-[5-fluoro(1,1,5,5-^2H₄)pentyl]-3-(4-methylnaphthalene-1-carbonyl)indole
• Synonyms: [1-(5-Fluoropentyl-d4)-1H-indol-3-yl](4-methyl-1-naphthalenyl)methanone; 4-Methyl AM-2201-d4

Database IDs

• PubChem SID: 164228986
• PubChem CID: 71750124

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.480816
• LogD (pH = 7.4): 6.480816
• Log P: 6.480816
• Molar Refractivity: 112.8193 cm^3
• Polarizability: 45.454338 Å^3
• Polar Surface Area: 22.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - M265112

Labelled 4-Methyl AM-2201 ( M265110). 4-Methyl AM-2201 is an analogue of AM-2201 (A575830).