1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione

C19H16ClFN2O2 — CID 22520406

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione
SMILESCc1cc(C)cc(-n2ccn(Cc3c(F)cccc3Cl)c(=O)c2=O)c1
InChIInChI=1S/C19H16ClFN2O2/c1-12-8-13(2)10-14(9-12)23-7-6-22(18(24)19(23)25)11-15-16(20)4-3-5-17(15)21/h3-10H,11H2,1-2H3
InChIKeyLNYFUANYNIIGTD-UHFFFAOYSA-N
MW358.80 g/mol
LogP3.46
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione

1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione (PubChem CID 22520406) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione
PubChem CID22520406
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione
SMILESCc1cc(C)cc(-n2ccn(Cc3c(F)cccc3Cl)c(=O)c2=O)c1
InChIInChI=1S/C19H16ClFN2O2/c1-12-8-13(2)10-14(9-12)23-7-6-22(18(24)19(23)25)11-15-16(20)4-3-5-17(15)21/h3-10H,11H2,1-2H3
InChIKeyLNYFUANYNIIGTD-UHFFFAOYSA-N
XLogP3.46
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3,5-dimethylphenyl)pyrazine-2,3-dione?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione (CID 22520406) is 1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione is Cc1cc(C)cc(-n2ccn(Cc3c(F)cccc3Cl)c(=O)c2=O)c1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione?
The InChIKey is LNYFUANYNIIGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-12-8-13(2)10-14(9-12)23-7-6-22(18(24)19(23)25)11-15-16(20)4-3-5-17(15)21/h3-10H,11H2,1-2H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione?
1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione has a molecular weight of 358.80 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione is sourced from PubChem (CID 22520406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).