[5-(2-fluorophenyl)-1-pentylpyrrol-2-yl]-naphthalen-1-ylmethanone

C26H24FNO — CID 91744442

IUPAC[5-(2-fluorophenyl)-1-pentylpyrrol-2-yl]-naphthalen-1-ylmethanone
SMILESCCCCCn1c(C(=O)c2cccc3ccccc23)ccc1-c1ccccc1F
InChIInChI=1S/C26H24FNO/c1-2-3-8-18-28-24(22-13-6-7-15-23(22)27)16-17-25(28)26(29)21-14-9-11-19-10-4-5-12-20(19)21/h4-7,9-17H,2-3,8,18H2,1H3
InChIKeyYHTMLPYRGCDOAS-UHFFFAOYSA-N
MW385.48 g/mol
LogP6.87
Rot. Bonds7

About [5-(2-fluorophenyl)-1-pentylpyrrol-2-yl]-naphthalen-1-ylmethanone

[5-(2-fluorophenyl)-1-pentylpyrrol-2-yl]-naphthalen-1-ylmethanone (PubChem CID 91744442) has the molecular formula C26H24FNO and a molecular weight of 385.48 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1-pentylpyrrol-2-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1-pentylpyrrol-2-yl]-naphthalen-1-ylmethanone
PubChem CID91744442
Molecular FormulaC26H24FNO
Molecular Weight385.48 g/mol
Exact Mass385.18
IUPAC Name[5-(2-fluorophenyl)-1-pentylpyrrol-2-yl]-naphthalen-1-ylmethanone
SMILESCCCCCn1c(C(=O)c2cccc3ccccc23)ccc1-c1ccccc1F
InChIInChI=1S/C26H24FNO/c1-2-3-8-18-28-24(22-13-6-7-15-23(22)27)16-17-25(28)26(29)21-14-9-11-19-10-4-5-12-20(19)21/h4-7,9-17H,2-3,8,18H2,1H3
InChIKeyYHTMLPYRGCDOAS-UHFFFAOYSA-N
XLogP6.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.48
LogP ≤ 56.87
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 [5-(2-fluorophenyl)-1-pentylpyrrol-2-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [5-(2-fluorophenyl)-1-pentylpyrrol-2-yl]-naphthalen-1-ylmethanone (CID 91744442) is [5-(2-fluorophenyl)-1-pentylpyrrol-2-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [5-(2-fluorophenyl)-1-pentylpyrrol-2-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [5-(2-fluorophenyl)-1-pentylpyrrol-2-yl]-naphthalen-1-ylmethanone is CCCCCn1c(C(=O)c2cccc3ccccc23)ccc1-c1ccccc1F.
What is the InChIKey of [5-(2-fluorophenyl)-1-pentylpyrrol-2-yl]-naphthalen-1-ylmethanone?
The InChIKey is YHTMLPYRGCDOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO/c1-2-3-8-18-28-24(22-13-6-7-15-23(22)27)16-17-25(28)26(29)21-14-9-11-19-10-4-5-12-20(19)21/h4-7,9-17H,2-3,8,18H2,1H3.
What are the key properties of [5-(2-fluorophenyl)-1-pentylpyrrol-2-yl]-naphthalen-1-ylmethanone?
[5-(2-fluorophenyl)-1-pentylpyrrol-2-yl]-naphthalen-1-ylmethanone has a molecular weight of 385.48 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1-pentylpyrrol-2-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 91744442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).