1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione

C19H17FN2O2 — CID 22520404

IUPAC1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione
SMILESCc1cc(C)cc(-n2ccn(Cc3ccccc3F)c(=O)c2=O)c1
InChIInChI=1S/C19H17FN2O2/c1-13-9-14(2)11-16(10-13)22-8-7-21(18(23)19(22)24)12-15-5-3-4-6-17(15)20/h3-11H,12H2,1-2H3
InChIKeyZGDWWMLYVCGDDH-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.80
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione

1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione (PubChem CID 22520404) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione
PubChem CID22520404
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione
SMILESCc1cc(C)cc(-n2ccn(Cc3ccccc3F)c(=O)c2=O)c1
InChIInChI=1S/C19H17FN2O2/c1-13-9-14(2)11-16(10-13)22-8-7-21(18(23)19(22)24)12-15-5-3-4-6-17(15)20/h3-11H,12H2,1-2H3
InChIKeyZGDWWMLYVCGDDH-UHFFFAOYSA-N
XLogP2.80
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.80
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-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione (CID 22520404) is 1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione is Cc1cc(C)cc(-n2ccn(Cc3ccccc3F)c(=O)c2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione?
The InChIKey is ZGDWWMLYVCGDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-13-9-14(2)11-16(10-13)22-8-7-21(18(23)19(22)24)12-15-5-3-4-6-17(15)20/h3-11H,12H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione?
1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione has a molecular weight of 324.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione is sourced from PubChem (CID 22520404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).