[1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone

C24H22FNO — CID 132989243

IUPAC[1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone
SMILESCCCC(F)Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H22FNO/c1-2-8-18(25)15-26-16-22(20-12-5-6-14-23(20)26)24(27)21-13-7-10-17-9-3-4-11-19(17)21/h3-7,9-14,16,18H,2,8,15H2,1H3
InChIKeyUYTSDBWWEGEPLY-UHFFFAOYSA-N
MW359.44 g/mol
LogP6.16
Rot. Bonds6

About [1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone

[1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone (PubChem CID 132989243) has the molecular formula C24H22FNO and a molecular weight of 359.44 g/mol. Its IUPAC name is [1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone
PubChem CID132989243
Molecular FormulaC24H22FNO
Molecular Weight359.44 g/mol
Exact Mass359.17
IUPAC Name[1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone
SMILESCCCC(F)Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H22FNO/c1-2-8-18(25)15-26-16-22(20-12-5-6-14-23(20)26)24(27)21-13-7-10-17-9-3-4-11-19(17)21/h3-7,9-14,16,18H,2,8,15H2,1H3
InChIKeyUYTSDBWWEGEPLY-UHFFFAOYSA-N
XLogP6.16
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.44
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone (CID 132989243) is [1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone is CCCC(F)Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of [1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is UYTSDBWWEGEPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO/c1-2-8-18(25)15-26-16-22(20-12-5-6-14-23(20)26)24(27)21-13-7-10-17-9-3-4-11-19(17)21/h3-7,9-14,16,18H,2,8,15H2,1H3.
What are the key properties of [1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone?
[1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 359.44 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 132989243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).