1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione

C19H16ClFN2O3 — CID 22520241

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione
SMILESCOc1ccc(Cn2ccn(Cc3c(F)cccc3Cl)c(=O)c2=O)cc1
InChIInChI=1S/C19H16ClFN2O3/c1-26-14-7-5-13(6-8-14)11-22-9-10-23(19(25)18(22)24)12-15-16(20)3-2-4-17(15)21/h2-10H,11-12H2,1H3
InChIKeyCSXCXBQMJSVCKE-UHFFFAOYSA-N
MW374.80 g/mol
LogP2.91
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione

1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione (PubChem CID 22520241) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione
PubChem CID22520241
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione
SMILESCOc1ccc(Cn2ccn(Cc3c(F)cccc3Cl)c(=O)c2=O)cc1
InChIInChI=1S/C19H16ClFN2O3/c1-26-14-7-5-13(6-8-14)11-22-9-10-23(19(25)18(22)24)12-15-16(20)3-2-4-17(15)21/h2-10H,11-12H2,1H3
InChIKeyCSXCXBQMJSVCKE-UHFFFAOYSA-N
XLogP2.91
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 52.91
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-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione (CID 22520241) is 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione is COc1ccc(Cn2ccn(Cc3c(F)cccc3Cl)c(=O)c2=O)cc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione?
The InChIKey is CSXCXBQMJSVCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-26-14-7-5-13(6-8-14)11-22-9-10-23(19(25)18(22)24)12-15-16(20)3-2-4-17(15)21/h2-10H,11-12H2,1H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione?
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione has a molecular weight of 374.80 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione is sourced from PubChem (CID 22520241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).