1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione

C19H14ClFN2O4 — CID 7286861

IUPAC1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
SMILESCOc1ccc(Cl)cc1-n1ccn(CC(=O)c2ccc(F)cc2)c(=O)c1=O
InChIInChI=1S/C19H14ClFN2O4/c1-27-17-7-4-13(20)10-15(17)23-9-8-22(18(25)19(23)26)11-16(24)12-2-5-14(21)6-3-12/h2-10H,11H2,1H3
InChIKeyJILHGOZGPLIQMI-UHFFFAOYSA-N
MW388.78 g/mol
LogP2.68
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione

1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione (PubChem CID 7286861) has the molecular formula C19H14ClFN2O4 and a molecular weight of 388.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
PubChem CID7286861
Molecular FormulaC19H14ClFN2O4
Molecular Weight388.78 g/mol
Exact Mass388.06
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
SMILESCOc1ccc(Cl)cc1-n1ccn(CC(=O)c2ccc(F)cc2)c(=O)c1=O
InChIInChI=1S/C19H14ClFN2O4/c1-27-17-7-4-13(20)10-15(17)23-9-8-22(18(25)19(23)26)11-16(24)12-2-5-14(21)6-3-12/h2-10H,11H2,1H3
InChIKeyJILHGOZGPLIQMI-UHFFFAOYSA-N
XLogP2.68
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 30565239
1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 7286860
1-[2-(4-fluorophenyl)-2-oxoethyl]-4-phenylpyrazine-2,3-dione
CID 6625633
1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 30565230
N-(5-chloro-2-methoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928900
1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62023747
[2-(4-fluorophenyl)-2-oxoethyl] (3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8634655
1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 94288870
[2-(4-fluorophenyl)-2-oxoethyl] 1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7175381
2-[4-(3-chloro-4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 7286907
1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione
CID 172906223
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione
CID 95917526

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione (CID 7286861) is 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione is COc1ccc(Cl)cc1-n1ccn(CC(=O)c2ccc(F)cc2)c(=O)c1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione?
The InChIKey is JILHGOZGPLIQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O4/c1-27-17-7-4-13(20)10-15(17)23-9-8-22(18(25)19(23)26)11-16(24)12-2-5-14(21)6-3-12/h2-10H,11H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione?
1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione has a molecular weight of 388.78 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione is sourced from PubChem (CID 7286861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).