1-benzyl-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione

C18H15FN2O2 — CID 22520254

IUPAC1-benzyl-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione
SMILESO=c1c(=O)n(Cc2cccc(F)c2)ccn1Cc1ccccc1
InChIInChI=1S/C18H15FN2O2/c19-16-8-4-7-15(11-16)13-21-10-9-20(17(22)18(21)23)12-14-5-2-1-3-6-14/h1-11H,12-13H2
InChIKeySVPQNRTVTBRQMC-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.25
Rot. Bonds4

About 1-benzyl-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione

1-benzyl-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione (PubChem CID 22520254) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-benzyl-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-benzyl-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione
PubChem CID22520254
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name1-benzyl-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione
SMILESO=c1c(=O)n(Cc2cccc(F)c2)ccn1Cc1ccccc1
InChIInChI=1S/C18H15FN2O2/c19-16-8-4-7-15(11-16)13-21-10-9-20(17(22)18(21)23)12-14-5-2-1-3-6-14/h1-11H,12-13H2
InChIKeySVPQNRTVTBRQMC-UHFFFAOYSA-N
XLogP2.25
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Dibenzyloxamide
CID 219253
1-(2-Phenylethyl)-4-(phenylmethyl)-2,6-piperazinedione
CID 2259642
2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 4963907
N-benzyl-2-[4-(3-fluorobenzyl)-1-piperazinyl]acetamide
CID 6464809
N-[(4-fluorophenyl)methyl]-2-(2-oxopyridin-1-yl)acetamide
CID 9441317
1,4-Dibenzyl-2,5-piperazinedione
CID 682107
1-{4-[(4-Fluorophenyl)methyl]piperazin-1-yl}propan-1-one
CID 19323503
2,6-Piperazinedione, 4,4'-(1,2-ethanediyl)bis[1-(phenylmethyl)-
CID 281453
1-Benzyl-3-[1-(2-fluoro-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea
CID 1450059
1-Benzyl-3-[1-(4-fluoro-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea
CID 1450072
1-Benzyl-3-[1-(3-fluoro-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea
CID 1450157
N-benzyl-2-(4-cinnamylpiperazin-1-yl)acetamide
CID 2355293

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione?
The IUPAC name of 1-benzyl-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione (CID 22520254) is 1-benzyl-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-benzyl-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-benzyl-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione is O=c1c(=O)n(Cc2cccc(F)c2)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione?
The InChIKey is SVPQNRTVTBRQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-16-8-4-7-15(11-16)13-21-10-9-20(17(22)18(21)23)12-14-5-2-1-3-6-14/h1-11H,12-13H2.
What are the key properties of 1-benzyl-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione?
1-benzyl-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione has a molecular weight of 310.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione is sourced from PubChem (CID 22520254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).