[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate

C15H16F3NO3 — CID 2617337

IUPAC[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate
SMILESO=C(COC(=O)CC1CCCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H16F3NO3/c16-10-5-6-11(15(18)14(10)17)19-12(20)8-22-13(21)7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,19,20)
InChIKeyKYJCHQWIOHTWDP-UHFFFAOYSA-N
MW315.29 g/mol
LogP3.17
Rot. Bonds5

About [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate

[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate (PubChem CID 2617337) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate
PubChem CID2617337
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Name[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate
SMILESO=C(COC(=O)CC1CCCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H16F3NO3/c16-10-5-6-11(15(18)14(10)17)19-12(20)8-22-13(21)7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,19,20)
InChIKeyKYJCHQWIOHTWDP-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065461
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2617312
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23765081
methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate
CID 2617358
[2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 4239986
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 46794459
ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate
CID 24686043
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 8815750
[2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2617314
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate
CID 7722473
2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550278
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2654454

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate?
The IUPAC name of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate (CID 2617337) is [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate is O=C(COC(=O)CC1CCCC1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate?
The InChIKey is KYJCHQWIOHTWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO3/c16-10-5-6-11(15(18)14(10)17)19-12(20)8-22-13(21)7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,19,20).
What are the key properties of [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate?
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate has a molecular weight of 315.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate is sourced from PubChem (CID 2617337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).