2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide

C12H9F2N3O3 — CID 7286883

IUPAC2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESNC(=O)Cn1ccn(-c2ccc(F)c(F)c2)c(=O)c1=O
InChIInChI=1S/C12H9F2N3O3/c13-8-2-1-7(5-9(8)14)17-4-3-16(6-10(15)18)11(19)12(17)20/h1-5H,6H2,(H2,15,18)
InChIKeyOCZAGSLPYDDHGE-UHFFFAOYSA-N
MW281.22 g/mol
LogP-0.24
Rot. Bonds3

About 2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide

2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide (PubChem CID 7286883) has the molecular formula C12H9F2N3O3 and a molecular weight of 281.22 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide
PubChem CID7286883
Molecular FormulaC12H9F2N3O3
Molecular Weight281.22 g/mol
Exact Mass281.06
IUPAC Name2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESNC(=O)Cn1ccn(-c2ccc(F)c(F)c2)c(=O)c1=O
InChIInChI=1S/C12H9F2N3O3/c13-8-2-1-7(5-9(8)14)17-4-3-16(6-10(15)18)11(19)12(17)20/h1-5H,6H2,(H2,15,18)
InChIKeyOCZAGSLPYDDHGE-UHFFFAOYSA-N
XLogP-0.24
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The IUPAC name of 2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide (CID 7286883) is 2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide is NC(=O)Cn1ccn(-c2ccc(F)c(F)c2)c(=O)c1=O.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The InChIKey is OCZAGSLPYDDHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O3/c13-8-2-1-7(5-9(8)14)17-4-3-16(6-10(15)18)11(19)12(17)20/h1-5H,6H2,(H2,15,18).
What are the key properties of 2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide?
2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide has a molecular weight of 281.22 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide is sourced from PubChem (CID 7286883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).