1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione

C20H17FN2O4 — CID 30565239

IUPAC1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
SMILESCCOc1ccccc1-n1ccn(CC(=O)c2ccc(F)cc2)c(=O)c1=O
InChIInChI=1S/C20H17FN2O4/c1-2-27-18-6-4-3-5-16(18)23-12-11-22(19(25)20(23)26)13-17(24)14-7-9-15(21)10-8-14/h3-12H,2,13H2,1H3
InChIKeyTYCGPGPMOUOUEI-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.42
Rot. Bonds6

About 1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione

1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione (PubChem CID 30565239) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
PubChem CID30565239
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
SMILESCCOc1ccccc1-n1ccn(CC(=O)c2ccc(F)cc2)c(=O)c1=O
InChIInChI=1S/C20H17FN2O4/c1-2-27-18-6-4-3-5-16(18)23-12-11-22(19(25)20(23)26)13-17(24)14-7-9-15(21)10-8-14/h3-12H,2,13H2,1H3
InChIKeyTYCGPGPMOUOUEI-UHFFFAOYSA-N
XLogP2.42
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione (CID 30565239) is 1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione is CCOc1ccccc1-n1ccn(CC(=O)c2ccc(F)cc2)c(=O)c1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione?
The InChIKey is TYCGPGPMOUOUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-2-27-18-6-4-3-5-16(18)23-12-11-22(19(25)20(23)26)13-17(24)14-7-9-15(21)10-8-14/h3-12H,2,13H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione?
1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione has a molecular weight of 368.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione is sourced from PubChem (CID 30565239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).