1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione

C19H16F2N2O3 — CID 95917526

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione
SMILESCOc1ccc(Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1F
InChIInChI=1S/C19H16F2N2O3/c1-12-3-5-14(20)10-16(12)23-8-7-22(18(24)19(23)25)11-13-4-6-17(26-2)15(21)9-13/h3-10H,11H2,1-2H3
InChIKeyVGLSKDAAPKXZFC-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.64
Rot. Bonds4

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione

1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione (PubChem CID 95917526) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione
PubChem CID95917526
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione
SMILESCOc1ccc(Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1F
InChIInChI=1S/C19H16F2N2O3/c1-12-3-5-14(20)10-16(12)23-8-7-22(18(24)19(23)25)11-13-4-6-17(26-2)15(21)9-13/h3-10H,11H2,1-2H3
InChIKeyVGLSKDAAPKXZFC-UHFFFAOYSA-N
XLogP2.64
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
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

2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetonitrile
CID 95917501
1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione
CID 7286781
1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 7286758
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 113232235
7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one
CID 18099398
5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894074
4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one
CID 82480154
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxopyridine-3-carbothioamide
CID 107017879
1-[[4-(3,4-dimethylphenoxy)-3-fluorophenyl]methyl]pyrimidine-2,4-dione
CID 167251822
1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520485
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

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione (CID 95917526) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione is COc1ccc(Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione?
The InChIKey is VGLSKDAAPKXZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c1-12-3-5-14(20)10-16(12)23-8-7-22(18(24)19(23)25)11-13-4-6-17(26-2)15(21)9-13/h3-10H,11H2,1-2H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione?
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione has a molecular weight of 358.34 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-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione is sourced from PubChem (CID 95917526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).