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

C12H13ClF3N3O3 — CID 2497335

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C12H13ClF3N3O3/c1-6(2)17-11(22)18-9(20)5-19-4-7(12(14,15)16)3-8(13)10(19)21/h3-4,6H,5H2,1-2H3,(H2,17,18,20,22)
InChIKeyCLYDLGQKRSCNJE-UHFFFAOYSA-N
MW339.70 g/mol
LogP1.75
Rot. Bonds3

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 2497335) has the molecular formula C12H13ClF3N3O3 and a molecular weight of 339.70 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID2497335
Molecular FormulaC12H13ClF3N3O3
Molecular Weight339.70 g/mol
Exact Mass339.06
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C12H13ClF3N3O3/c1-6(2)17-11(22)18-9(20)5-19-4-7(12(14,15)16)3-8(13)10(19)21/h3-4,6H,5H2,1-2H3,(H2,17,18,20,22)
InChIKeyCLYDLGQKRSCNJE-UHFFFAOYSA-N
XLogP1.75
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.70
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-ylcarbamoyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(propan-2-ylcarbamoyl)acetamide (CID 2497335) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)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-ylcarbamoyl)acetamide?
The InChIKey is CLYDLGQKRSCNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3O3/c1-6(2)17-11(22)18-9(20)5-19-4-7(12(14,15)16)3-8(13)10(19)21/h3-4,6H,5H2,1-2H3,(H2,17,18,20,22).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(propan-2-ylcarbamoyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 339.70 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 2497335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).