[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopentanecarboxylate

C14H14ClF3N2O3 — CID 2385546

IUPAC[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopentanecarboxylate
SMILESO=C(COC(=O)C1CCCC1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H14ClF3N2O3/c15-10-5-9(14(16,17)18)6-19-12(10)20-11(21)7-23-13(22)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,19,20,21)
InChIKeyPKGXUGRDVQIFNI-UHFFFAOYSA-N
MW350.72 g/mol
LogP3.43
Rot. Bonds4

About [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopentanecarboxylate

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 2385546) has the molecular formula C14H14ClF3N2O3 and a molecular weight of 350.72 g/mol. Its IUPAC name is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopentanecarboxylate
PubChem CID2385546
Molecular FormulaC14H14ClF3N2O3
Molecular Weight350.72 g/mol
Exact Mass350.06
IUPAC Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopentanecarboxylate
SMILESO=C(COC(=O)C1CCCC1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H14ClF3N2O3/c15-10-5-9(14(16,17)18)6-19-12(10)20-11(21)7-23-13(22)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,19,20,21)
InChIKeyPKGXUGRDVQIFNI-UHFFFAOYSA-N
XLogP3.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.72
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopentanecarboxylate?
The IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopentanecarboxylate (CID 2385546) is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopentanecarboxylate is O=C(COC(=O)C1CCCC1)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopentanecarboxylate?
The InChIKey is PKGXUGRDVQIFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O3/c15-10-5-9(14(16,17)18)6-19-12(10)20-11(21)7-23-13(22)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,19,20,21).
What are the key properties of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopentanecarboxylate?
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 350.72 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] cyclopentanecarboxylate is sourced from PubChem (CID 2385546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).