[1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone

C25H24FNO — CID 66570720

IUPAC[1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)c2cn(CCCCCF)c3ccccc23)c2ccccc12
InChIInChI=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
InChIKeyIGBHZHCGWLHBAE-UHFFFAOYSA-N
MW373.47 g/mol
LogP6.47
Rot. Bonds7

About [1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone

[1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone (PubChem CID 66570720) has the molecular formula C25H24FNO and a molecular weight of 373.47 g/mol. Its IUPAC name is [1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
PubChem CID66570720
Molecular FormulaC25H24FNO
Molecular Weight373.47 g/mol
Exact Mass373.18
IUPAC Name[1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
SMILESCc1ccc(C(=O)c2cn(CCCCCF)c3ccccc23)c2ccccc12
InChIInChI=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
InChIKeyIGBHZHCGWLHBAE-UHFFFAOYSA-N
XLogP6.47
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.47
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone?
The IUPAC name of [1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone (CID 66570720) is [1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for [1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone?
The canonical SMILES for [1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone is Cc1ccc(C(=O)c2cn(CCCCCF)c3ccccc23)c2ccccc12.
What is the InChIKey of [1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone?
The InChIKey is IGBHZHCGWLHBAE-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of [1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone?
[1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone has a molecular weight of 373.47 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 66570720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).