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

C10H9ClF3N3O3 — CID 2587473

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C10H9ClF3N3O3/c1-15-9(20)16-7(18)4-17-3-5(10(12,13)14)2-6(11)8(17)19/h2-3H,4H2,1H3,(H2,15,16,18,20)
InChIKeyJXXMHVLUTXRALO-UHFFFAOYSA-N
MW311.65 g/mol
LogP0.98
Rot. Bonds2

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(methylcarbamoyl)acetamide (PubChem CID 2587473) has the molecular formula C10H9ClF3N3O3 and a molecular weight of 311.65 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(methylcarbamoyl)acetamide
PubChem CID2587473
Molecular FormulaC10H9ClF3N3O3
Molecular Weight311.65 g/mol
Exact Mass311.03
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C10H9ClF3N3O3/c1-15-9(20)16-7(18)4-17-3-5(10(12,13)14)2-6(11)8(17)19/h2-3H,4H2,1H3,(H2,15,16,18,20)
InChIKeyJXXMHVLUTXRALO-UHFFFAOYSA-N
XLogP0.98
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.65
LogP ≤ 50.98
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-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(methylcarbamoyl)acetamide (CID 2587473) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(methylcarbamoyl)acetamide is CNC(=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-(methylcarbamoyl)acetamide?
The InChIKey is JXXMHVLUTXRALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O3/c1-15-9(20)16-7(18)4-17-3-5(10(12,13)14)2-6(11)8(17)19/h2-3H,4H2,1H3,(H2,15,16,18,20).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(methylcarbamoyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(methylcarbamoyl)acetamide has a molecular weight of 311.65 g/mol, XLogP of 0.98, 2 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-(methylcarbamoyl)acetamide is sourced from PubChem (CID 2587473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).