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

C11H10ClF3N2O2 — CID 2587509

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopropylacetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CC1
InChIInChI=1S/C11H10ClF3N2O2/c12-8-3-6(11(13,14)15)4-17(10(8)19)5-9(18)16-7-1-2-7/h3-4,7H,1-2,5H2,(H,16,18)
InChIKeyXQKTXLAEZAQPAN-UHFFFAOYSA-N
MW294.66 g/mol
LogP1.80
Rot. Bonds3

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopropylacetamide (PubChem CID 2587509) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopropylacetamide
PubChem CID2587509
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopropylacetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CC1
InChIInChI=1S/C11H10ClF3N2O2/c12-8-3-6(11(13,14)15)4-17(10(8)19)5-9(18)16-7-1-2-7/h3-4,7H,1-2,5H2,(H,16,18)
InChIKeyXQKTXLAEZAQPAN-UHFFFAOYSA-N
XLogP1.80
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide
CID 2587467
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide
CID 7633456
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2497335
N-cyclopropyl-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
CID 2623809
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutyl)acetamide
CID 8894328
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N,N-bis(prop-2-enyl)acetamide
CID 9119798
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-3-ylacetamide
CID 16377604
3-chloro-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,2-dihydropyridine-4-carboxamide
CID 144174807
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide
CID 2587458
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide
CID 2587460
N-[(2R)-butan-2-yl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2587461
N-[(2S)-butan-2-yl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2587464

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopropylacetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopropylacetamide (CID 2587509) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopropylacetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CC1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopropylacetamide?
The InChIKey is XQKTXLAEZAQPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2/c12-8-3-6(11(13,14)15)4-17(10(8)19)5-9(18)16-7-1-2-7/h3-4,7H,1-2,5H2,(H,16,18).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopropylacetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopropylacetamide has a molecular weight of 294.66 g/mol, XLogP of 1.80, 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-cyclopropylacetamide is sourced from PubChem (CID 2587509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).