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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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione
CID 22520458
1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione
CID 22520404
1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione
CID 95917593
3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one
CID 114561600
4-[(2-chloro-6-fluorophenyl)methyl]-2-(3,5-dimethylphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 22588606
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3-chloro-4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598223
1-[(2-chloro-6-fluorophenyl)methyl]-2,3-dimethylimidazol-3-ium iodide
CID 167683507
1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione
CID 22520496
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-2-methoxyacetamide
CID 6488653
1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione
CID 7286786
1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione
CID 82117290
1-[(2-chloro-6-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598234

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).