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

C19H17FN2O2 — CID 7286786

IUPAC1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione
SMILESCCc1cccc(-n2ccn(Cc3ccc(F)cc3)c(=O)c2=O)c1
InChIInChI=1S/C19H17FN2O2/c1-2-14-4-3-5-17(12-14)22-11-10-21(18(23)19(22)24)13-15-6-8-16(20)9-7-15/h3-12H,2,13H2,1H3
InChIKeyRBJVBHBSQBNNLZ-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.75
Rot. Bonds4

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

1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione (PubChem CID 7286786) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione
PubChem CID7286786
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione
SMILESCCc1cccc(-n2ccn(Cc3ccc(F)cc3)c(=O)c2=O)c1
InChIInChI=1S/C19H17FN2O2/c1-2-14-4-3-5-17(12-14)22-11-10-21(18(23)19(22)24)13-15-6-8-16(20)9-7-15/h3-12H,2,13H2,1H3
InChIKeyRBJVBHBSQBNNLZ-UHFFFAOYSA-N
XLogP2.75
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.75
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-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione?
The IUPAC name of 1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione (CID 7286786) is 1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione is CCc1cccc(-n2ccn(Cc3ccc(F)cc3)c(=O)c2=O)c1.
What is the InChIKey of 1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione?
The InChIKey is RBJVBHBSQBNNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-2-14-4-3-5-17(12-14)22-11-10-21(18(23)19(22)24)13-15-6-8-16(20)9-7-15/h3-12H,2,13H2,1H3.
What are the key properties of 1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione?
1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione has a molecular weight of 324.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione is sourced from PubChem (CID 7286786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).