2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

C20H16F3N3O4 — CID 50928836

IUPAC2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccccc1-n1ccn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c1=O
InChIInChI=1S/C20H16F3N3O4/c1-30-16-5-3-2-4-15(16)26-11-10-25(18(28)19(26)29)12-17(27)24-14-8-6-13(7-9-14)20(21,22)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyRQABLEIEHVTASS-UHFFFAOYSA-N
MW419.36 g/mol
LogP2.67
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 50928836) has the molecular formula C20H16F3N3O4 and a molecular weight of 419.36 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID50928836
Molecular FormulaC20H16F3N3O4
Molecular Weight419.36 g/mol
Exact Mass419.11
IUPAC Name2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccccc1-n1ccn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c1=O
InChIInChI=1S/C20H16F3N3O4/c1-30-16-5-3-2-4-15(16)26-11-10-25(18(28)19(26)29)12-17(27)24-14-8-6-13(7-9-14)20(21,22)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyRQABLEIEHVTASS-UHFFFAOYSA-N
XLogP2.67
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2149362
N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928796
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928850
2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 22520314
N-(1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928878
2-[4-(2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30565603
N-(3-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 30565945
N-(5-chloro-2-methoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928900
1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 163405266
N-(3,4-dimethylphenyl)-2-(2,3-dioxo-4-phenylpyrazin-1-yl)acetamide
CID 7183401
2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide
CID 172893896
N-(5-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928843

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 50928836) is 2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is COc1ccccc1-n1ccn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c1=O.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RQABLEIEHVTASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O4/c1-30-16-5-3-2-4-15(16)26-11-10-25(18(28)19(26)29)12-17(27)24-14-8-6-13(7-9-14)20(21,22)23/h2-11H,12H2,1H3,(H,24,27).
What are the key properties of 2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 419.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 50928836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).