[1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone

C24H22FNO2 — CID 91744220

IUPAC[1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)c1cn(CCCCCF)c2cc(O)ccc12
InChIInChI=1S/C24H22FNO2/c25-13-4-1-5-14-26-16-22(20-12-11-18(27)15-23(20)26)24(28)21-10-6-8-17-7-2-3-9-19(17)21/h2-3,6-12,15-16,27H,1,4-5,13-14H2
InChIKeyJNNACCUUTICHKV-UHFFFAOYSA-N
MW375.44 g/mol
LogP5.87
Rot. Bonds7

About [1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone

[1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone (PubChem CID 91744220) has the molecular formula C24H22FNO2 and a molecular weight of 375.44 g/mol. Its IUPAC name is [1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone
PubChem CID91744220
Molecular FormulaC24H22FNO2
Molecular Weight375.44 g/mol
Exact Mass375.16
IUPAC Name[1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)c1cn(CCCCCF)c2cc(O)ccc12
InChIInChI=1S/C24H22FNO2/c25-13-4-1-5-14-26-16-22(20-12-11-18(27)15-23(20)26)24(28)21-10-6-8-17-7-2-3-9-19(17)21/h2-3,6-12,15-16,27H,1,4-5,13-14H2
InChIKeyJNNACCUUTICHKV-UHFFFAOYSA-N
XLogP5.87
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone (CID 91744220) is [1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)c1cn(CCCCCF)c2cc(O)ccc12.
What is the InChIKey of [1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is JNNACCUUTICHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO2/c25-13-4-1-5-14-26-16-22(20-12-11-18(27)15-23(20)26)24(28)21-10-6-8-17-7-2-3-9-19(17)21/h2-3,6-12,15-16,27H,1,4-5,13-14H2.
What are the key properties of [1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone?
[1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 375.44 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 91744220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).