1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone

C15H20FNO — CID 104750265

IUPAC1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone
SMILESCCN(CC(=O)C1CCCC1)c1cccc(F)c1
InChIInChI=1S/C15H20FNO/c1-2-17(14-9-5-8-13(16)10-14)11-15(18)12-6-3-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3
InChIKeyUNLLLFLZXFFVIN-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.41
Rot. Bonds5

About 1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone

1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone (PubChem CID 104750265) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone
PubChem CID104750265
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone
SMILESCCN(CC(=O)C1CCCC1)c1cccc(F)c1
InChIInChI=1S/C15H20FNO/c1-2-17(14-9-5-8-13(16)10-14)11-15(18)12-6-3-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3
InChIKeyUNLLLFLZXFFVIN-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
CID 104750103
1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone
CID 104750304
(3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 81140928
2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone
CID 113448721
2-(N-ethylanilino)-1-(3-fluorophenyl)ethanone
CID 43227492
2-(N-ethyl-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60517438
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea
CID 116655437
1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
CID 104750297
2-(3-amino-N-ethylanilino)-N-cyclopentylacetamide
CID 55175748
N-(3-chlorophenyl)-2-(N-ethyl-3-fluoroanilino)acetamide
CID 52686374
N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
CID 55149318

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone?
The IUPAC name of 1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone (CID 104750265) is 1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone is CCN(CC(=O)C1CCCC1)c1cccc(F)c1.
What is the InChIKey of 1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone?
The InChIKey is UNLLLFLZXFFVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-2-17(14-9-5-8-13(16)10-14)11-15(18)12-6-3-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3.
What are the key properties of 1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone?
1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone has a molecular weight of 249.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone is sourced from PubChem (CID 104750265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).