1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione

C17H12F2N2O2 — CID 22520496

IUPAC1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione
SMILESO=c1c(=O)n(-c2ccc(F)c(F)c2)ccn1Cc1ccccc1
InChIInChI=1S/C17H12F2N2O2/c18-14-7-6-13(10-15(14)19)21-9-8-20(16(22)17(21)23)11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyFICDEQYXHBAMLG-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.33
Rot. Bonds3

About 1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione

1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione (PubChem CID 22520496) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione
PubChem CID22520496
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione
SMILESO=c1c(=O)n(-c2ccc(F)c(F)c2)ccn1Cc1ccccc1
InChIInChI=1S/C17H12F2N2O2/c18-14-7-6-13(10-15(14)19)21-9-8-20(16(22)17(21)23)11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyFICDEQYXHBAMLG-UHFFFAOYSA-N
XLogP2.33
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione?
The IUPAC name of 1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione (CID 22520496) is 1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione?
The canonical SMILES for 1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione is O=c1c(=O)n(-c2ccc(F)c(F)c2)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione?
The InChIKey is FICDEQYXHBAMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c18-14-7-6-13(10-15(14)19)21-9-8-20(16(22)17(21)23)11-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione?
1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione has a molecular weight of 314.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione is sourced from PubChem (CID 22520496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).