2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide

C13H14ClF3N2O2 — CID 2587522

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CCCC1
InChIInChI=1S/C13H14ClF3N2O2/c14-10-5-8(13(15,16)17)6-19(12(10)21)7-11(20)18-9-3-1-2-4-9/h5-6,9H,1-4,7H2,(H,18,20)
InChIKeyPLOQJRPGFPEHKT-UHFFFAOYSA-N
MW322.71 g/mol
LogP2.58
Rot. Bonds3

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide (PubChem CID 2587522) has the molecular formula C13H14ClF3N2O2 and a molecular weight of 322.71 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide
PubChem CID2587522
Molecular FormulaC13H14ClF3N2O2
Molecular Weight322.71 g/mol
Exact Mass322.07
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CCCC1
InChIInChI=1S/C13H14ClF3N2O2/c14-10-5-8(13(15,16)17)6-19(12(10)21)7-11(20)18-9-3-1-2-4-9/h5-6,9H,1-4,7H2,(H,18,20)
InChIKeyPLOQJRPGFPEHKT-UHFFFAOYSA-N
XLogP2.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide (CID 2587522) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CCCC1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide?
The InChIKey is PLOQJRPGFPEHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O2/c14-10-5-8(13(15,16)17)6-19(12(10)21)7-11(20)18-9-3-1-2-4-9/h5-6,9H,1-4,7H2,(H,18,20).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide has a molecular weight of 322.71 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopentylacetamide is sourced from PubChem (CID 2587522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).