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

C20H16F3N3O4 — CID 22520460

IUPAC2-[4-(3-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cccc(-n2ccn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2=O)c1
InChIInChI=1S/C20H16F3N3O4/c1-30-14-6-4-5-13(11-14)26-10-9-25(18(28)19(26)29)12-17(27)24-16-8-3-2-7-15(16)20(21,22)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyWUESGEPWFBIBGA-UHFFFAOYSA-N
MW419.36 g/mol
LogP2.67
Rot. Bonds5

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

2-[4-(3-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 22520460) has the molecular formula C20H16F3N3O4 and a molecular weight of 419.36 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID22520460
Molecular FormulaC20H16F3N3O4
Molecular Weight419.36 g/mol
Exact Mass419.11
IUPAC Name2-[4-(3-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cccc(-n2ccn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2=O)c1
InChIInChI=1S/C20H16F3N3O4/c1-30-14-6-4-5-13(11-14)26-10-9-25(18(28)19(26)29)12-17(27)24-16-8-3-2-7-15(16)20(21,22)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyWUESGEPWFBIBGA-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(3-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 22520460) is 2-[4-(3-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is COc1cccc(-n2ccn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2=O)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WUESGEPWFBIBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O4/c1-30-14-6-4-5-13(11-14)26-10-9-25(18(28)19(26)29)12-17(27)24-16-8-3-2-7-15(16)20(21,22)23/h2-11H,12H2,1H3,(H,24,27).
What are the key properties of 2-[4-(3-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-(3-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[2-(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-(3-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 22520460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).