2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide

C14H12F3N3O3 — CID 172893896

IUPAC2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide
SMILESO=C(Cn1ccn(CC(F)(F)F)c(=O)c1=O)Nc1ccccc1
InChIInChI=1S/C14H12F3N3O3/c15-14(16,17)9-20-7-6-19(12(22)13(20)23)8-11(21)18-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,21)
InChIKeyYJLXFJOKBUTNKE-UHFFFAOYSA-N
MW327.26 g/mol
LogP1.21
Rot. Bonds4

About 2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide

2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide (PubChem CID 172893896) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide
PubChem CID172893896
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC Name2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide
SMILESO=C(Cn1ccn(CC(F)(F)F)c(=O)c1=O)Nc1ccccc1
InChIInChI=1S/C14H12F3N3O3/c15-14(16,17)9-20-7-6-19(12(22)13(20)23)8-11(21)18-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,21)
InChIKeyYJLXFJOKBUTNKE-UHFFFAOYSA-N
XLogP1.21
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
CID 172906489
N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
CID 172906485
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxopyrazin-1-yl]-N-phenylacetamide
CID 22520244
2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423901
1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid
CID 29293383
2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 50928836
N-(3-chlorophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2746340
N-(3,4-dimethylphenyl)-2-(2,3-dioxo-4-phenylpyrazin-1-yl)acetamide
CID 7183401
1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107975
N-(4-tert-butylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 2095659
2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 115679497
2-[2-oxo-3-(phenylcarbamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
CID 22405575

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide (CID 172893896) is 2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide is O=C(Cn1ccn(CC(F)(F)F)c(=O)c1=O)Nc1ccccc1.
What is the InChIKey of 2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide?
The InChIKey is YJLXFJOKBUTNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3/c15-14(16,17)9-20-7-6-19(12(22)13(20)23)8-11(21)18-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,21).
What are the key properties of 2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide?
2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide has a molecular weight of 327.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 172893896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).