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

C27H27F2NO — CID 72948786

IUPAC[4-fluoro-1-(5-fluoropentyl)indol-3-yl]-(4-propylnaphthalen-1-yl)methanone
SMILESCCCc1ccc(C(=O)c2cn(CCCCCF)c3cccc(F)c23)c2ccccc12
InChIInChI=1S/C27H27F2NO/c1-2-9-19-14-15-22(21-11-5-4-10-20(19)21)27(31)23-18-30(17-7-3-6-16-28)25-13-8-12-24(29)26(23)25/h4-5,8,10-15,18H,2-3,6-7,9,16-17H2,1H3
InChIKeyRRGVBGOMEZRGBH-UHFFFAOYSA-N
MW419.52 g/mol
LogP7.26
Rot. Bonds9

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

[4-fluoro-1-(5-fluoropentyl)indol-3-yl]-(4-propylnaphthalen-1-yl)methanone (PubChem CID 72948786) has the molecular formula C27H27F2NO and a molecular weight of 419.52 g/mol. Its IUPAC name is [4-fluoro-1-(5-fluoropentyl)indol-3-yl]-(4-propylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[4-fluoro-1-(5-fluoropentyl)indol-3-yl]-(4-propylnaphthalen-1-yl)methanone
PubChem CID72948786
Molecular FormulaC27H27F2NO
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name[4-fluoro-1-(5-fluoropentyl)indol-3-yl]-(4-propylnaphthalen-1-yl)methanone
SMILESCCCc1ccc(C(=O)c2cn(CCCCCF)c3cccc(F)c23)c2ccccc12
InChIInChI=1S/C27H27F2NO/c1-2-9-19-14-15-22(21-11-5-4-10-20(19)21)27(31)23-18-30(17-7-3-6-16-28)25-13-8-12-24(29)26(23)25/h4-5,8,10-15,18H,2-3,6-7,9,16-17H2,1H3
InChIKeyRRGVBGOMEZRGBH-UHFFFAOYSA-N
XLogP7.26
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 57.26
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 [4-fluoro-1-(5-fluoropentyl)indol-3-yl]-(4-propylnaphthalen-1-yl)methanone?
The IUPAC name of [4-fluoro-1-(5-fluoropentyl)indol-3-yl]-(4-propylnaphthalen-1-yl)methanone (CID 72948786) is [4-fluoro-1-(5-fluoropentyl)indol-3-yl]-(4-propylnaphthalen-1-yl)methanone.
What is the SMILES notation for [4-fluoro-1-(5-fluoropentyl)indol-3-yl]-(4-propylnaphthalen-1-yl)methanone?
The canonical SMILES for [4-fluoro-1-(5-fluoropentyl)indol-3-yl]-(4-propylnaphthalen-1-yl)methanone is CCCc1ccc(C(=O)c2cn(CCCCCF)c3cccc(F)c23)c2ccccc12.
What is the InChIKey of [4-fluoro-1-(5-fluoropentyl)indol-3-yl]-(4-propylnaphthalen-1-yl)methanone?
The InChIKey is RRGVBGOMEZRGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2NO/c1-2-9-19-14-15-22(21-11-5-4-10-20(19)21)27(31)23-18-30(17-7-3-6-16-28)25-13-8-12-24(29)26(23)25/h4-5,8,10-15,18H,2-3,6-7,9,16-17H2,1H3.
What are the key properties of [4-fluoro-1-(5-fluoropentyl)indol-3-yl]-(4-propylnaphthalen-1-yl)methanone?
[4-fluoro-1-(5-fluoropentyl)indol-3-yl]-(4-propylnaphthalen-1-yl)methanone has a molecular weight of 419.52 g/mol, XLogP of 7.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-(5-fluoropentyl)indol-3-yl]-(4-propylnaphthalen-1-yl)methanone is sourced from PubChem (CID 72948786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).