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

C20H17FN2O3 — CID 7286860

IUPAC1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
SMILESCc1ccc(C)c(-n2ccn(CC(=O)c3ccc(F)cc3)c(=O)c2=O)c1
InChIInChI=1S/C20H17FN2O3/c1-13-3-4-14(2)17(11-13)23-10-9-22(19(25)20(23)26)12-18(24)15-5-7-16(21)8-6-15/h3-11H,12H2,1-2H3
InChIKeyDJTZJZIKIOGPSR-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.64
Rot. Bonds4

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

1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione (PubChem CID 7286860) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
PubChem CID7286860
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
SMILESCc1ccc(C)c(-n2ccn(CC(=O)c3ccc(F)cc3)c(=O)c2=O)c1
InChIInChI=1S/C20H17FN2O3/c1-13-3-4-14(2)17(11-13)23-10-9-22(19(25)20(23)26)12-18(24)15-5-7-16(21)8-6-15/h3-11H,12H2,1-2H3
InChIKeyDJTZJZIKIOGPSR-UHFFFAOYSA-N
XLogP2.64
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-fluorophenyl)-2-oxoethyl]-4-phenylpyrazine-2,3-dione
CID 6625633
1-(2-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 30565239
1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 7286861
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95185758
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 51370139
1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]piperazine-2,3-dione
CID 167998129
1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 30565230
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(2-methylphenyl)acetamide
CID 51370095
2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetonitrile
CID 95917501
N-(4-butylphenyl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 51370146
N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 95917512
N-(1,3-benzodioxol-5-yl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 51370128

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione (CID 7286860) is 1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione is Cc1ccc(C)c(-n2ccn(CC(=O)c3ccc(F)cc3)c(=O)c2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione?
The InChIKey is DJTZJZIKIOGPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-13-3-4-14(2)17(11-13)23-10-9-22(19(25)20(23)26)12-18(24)15-5-7-16(21)8-6-15/h3-11H,12H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione?
1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione has a molecular weight of 352.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione is sourced from PubChem (CID 7286860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).