1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione

C19H16F2N2O3 — CID 95917552

IUPAC1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione
SMILESCCOc1ccc(-n2ccn(Cc3ccc(F)c(F)c3)c(=O)c2=O)cc1
InChIInChI=1S/C19H16F2N2O3/c1-2-26-15-6-4-14(5-7-15)23-10-9-22(18(24)19(23)25)12-13-3-8-16(20)17(21)11-13/h3-11H,2,12H2,1H3
InChIKeyWFDPITZRBUFEAS-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.72
Rot. Bonds5

About 1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione

1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione (PubChem CID 95917552) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione
PubChem CID95917552
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC Name1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione
SMILESCCOc1ccc(-n2ccn(Cc3ccc(F)c(F)c3)c(=O)c2=O)cc1
InChIInChI=1S/C19H16F2N2O3/c1-2-26-15-6-4-14(5-7-15)23-10-9-22(18(24)19(23)25)12-13-3-8-16(20)17(21)11-13/h3-11H,2,12H2,1H3
InChIKeyWFDPITZRBUFEAS-UHFFFAOYSA-N
XLogP2.72
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione (CID 95917552) is 1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione is CCOc1ccc(-n2ccn(Cc3ccc(F)c(F)c3)c(=O)c2=O)cc1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione?
The InChIKey is WFDPITZRBUFEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c1-2-26-15-6-4-14(5-7-15)23-10-9-22(18(24)19(23)25)12-13-3-8-16(20)17(21)11-13/h3-11H,2,12H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione?
1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione has a molecular weight of 358.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-4-(4-ethoxyphenyl)pyrazine-2,3-dione is sourced from PubChem (CID 95917552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).