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

C11H12ClF3N2O2 — CID 2587458

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C11H12ClF3N2O2/c1-6(2)16-9(18)5-17-4-7(11(13,14)15)3-8(12)10(17)19/h3-4,6H,5H2,1-2H3,(H,16,18)
InChIKeyFCDRILWWJWRDNL-UHFFFAOYSA-N
MW296.68 g/mol
LogP2.05
Rot. Bonds3

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide (PubChem CID 2587458) has the molecular formula C11H12ClF3N2O2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide
PubChem CID2587458
Molecular FormulaC11H12ClF3N2O2
Molecular Weight296.68 g/mol
Exact Mass296.05
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C11H12ClF3N2O2/c1-6(2)16-9(18)5-17-4-7(11(13,14)15)3-8(12)10(17)19/h3-4,6H,5H2,1-2H3,(H,16,18)
InChIKeyFCDRILWWJWRDNL-UHFFFAOYSA-N
XLogP2.05
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 52.05
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-propan-2-ylacetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide (CID 2587458) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide?
The InChIKey is FCDRILWWJWRDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O2/c1-6(2)16-9(18)5-17-4-7(11(13,14)15)3-8(12)10(17)19/h3-4,6H,5H2,1-2H3,(H,16,18).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide has a molecular weight of 296.68 g/mol, XLogP of 2.05, 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-propan-2-ylacetamide is sourced from PubChem (CID 2587458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).