[1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone

C24H22FNO2 — CID 91713112

IUPAC[1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)c1cn(CCCC(O)CF)c2ccccc12
InChIInChI=1S/C24H22FNO2/c25-15-18(27)9-6-14-26-16-22(20-11-3-4-13-23(20)26)24(28)21-12-5-8-17-7-1-2-10-19(17)21/h1-5,7-8,10-13,16,18,27H,6,9,14-15H2
InChIKeyHTFNNXALSQKDIS-UHFFFAOYSA-N
MW375.44 g/mol
LogP5.14
Rot. Bonds7

About [1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone

[1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone (PubChem CID 91713112) has the molecular formula C24H22FNO2 and a molecular weight of 375.44 g/mol. Its IUPAC name is [1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
PubChem CID91713112
Molecular FormulaC24H22FNO2
Molecular Weight375.44 g/mol
Exact Mass375.16
IUPAC Name[1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)c1cn(CCCC(O)CF)c2ccccc12
InChIInChI=1S/C24H22FNO2/c25-15-18(27)9-6-14-26-16-22(20-11-3-4-13-23(20)26)24(28)21-12-5-8-17-7-1-2-10-19(17)21/h1-5,7-8,10-13,16,18,27H,6,9,14-15H2
InChIKeyHTFNNXALSQKDIS-UHFFFAOYSA-N
XLogP5.14
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 ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Jwh 122
CID 44466638
Jwh-200
CID 10045570
Jwh 015
CID 4273754
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
AM-694
CID 9889172
Jwh 307
CID 16049783
(1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418307
AM-1220, (+-)-
CID 9929889
Jwh-007
CID 10360860

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone (CID 91713112) is [1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)c1cn(CCCC(O)CF)c2ccccc12.
What is the InChIKey of [1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is HTFNNXALSQKDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO2/c25-15-18(27)9-6-14-26-16-22(20-11-3-4-13-23(20)26)24(28)21-12-5-8-17-7-1-2-10-19(17)21/h1-5,7-8,10-13,16,18,27H,6,9,14-15H2.
What are the key properties of [1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone?
[1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 375.44 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 91713112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).