[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate

C16H17ClF3NO3 — CID 2358631

IUPAC[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate
SMILESO=C(COC(=O)CC1CCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H17ClF3NO3/c17-12-6-5-11(16(18,19)20)8-13(12)21-14(22)9-24-15(23)7-10-3-1-2-4-10/h5-6,8,10H,1-4,7,9H2,(H,21,22)
InChIKeySDGLUBFOAINKAA-UHFFFAOYSA-N
MW363.76 g/mol
LogP4.42
Rot. Bonds5

About [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate

[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 2358631) has the molecular formula C16H17ClF3NO3 and a molecular weight of 363.76 g/mol. Its IUPAC name is [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate
PubChem CID2358631
Molecular FormulaC16H17ClF3NO3
Molecular Weight363.76 g/mol
Exact Mass363.08
IUPAC Name[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate
SMILESO=C(COC(=O)CC1CCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H17ClF3NO3/c17-12-6-5-11(16(18,19)20)8-13(12)21-14(22)9-24-15(23)7-10-3-1-2-4-10/h5-6,8,10H,1-4,7,9H2,(H,21,22)
InChIKeySDGLUBFOAINKAA-UHFFFAOYSA-N
XLogP4.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2431096
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4348199
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2335922
[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2355202
[2-(2,6-Difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2359467
[2-(4-Chloroanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2380251
[2-[2-Chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] butanoate
CID 4254856
[2-(2,6-Dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 4801740
2-[[Cyclohexyl(oxo)methyl]amino]acetic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester
CID 35647030
[2-(2-Fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2344661
[2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2380699
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2427105

Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate (CID 2358631) is [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate is O=C(COC(=O)CC1CCCC1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is SDGLUBFOAINKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3NO3/c17-12-6-5-11(16(18,19)20)8-13(12)21-14(22)9-24-15(23)7-10-3-1-2-4-10/h5-6,8,10H,1-4,7,9H2,(H,21,22).
What are the key properties of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate?
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 363.76 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 2358631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).