2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide

C13H12ClN3O3 — CID 7286875

IUPAC2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCc1c(Cl)cccc1-n1ccn(CC(N)=O)c(=O)c1=O
InChIInChI=1S/C13H12ClN3O3/c1-8-9(14)3-2-4-10(8)17-6-5-16(7-11(15)18)12(19)13(17)20/h2-6H,7H2,1H3,(H2,15,18)
InChIKeySTJHEAFQFVHLDC-UHFFFAOYSA-N
MW293.71 g/mol
LogP0.45
Rot. Bonds3

About 2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide

2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide (PubChem CID 7286875) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
PubChem CID7286875
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCc1c(Cl)cccc1-n1ccn(CC(N)=O)c(=O)c1=O
InChIInChI=1S/C13H12ClN3O3/c1-8-9(14)3-2-4-10(8)17-6-5-16(7-11(15)18)12(19)13(17)20/h2-6H,7H2,1H3,(H2,15,18)
InChIKeySTJHEAFQFVHLDC-UHFFFAOYSA-N
XLogP0.45
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylphenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
CID 30566101
1-but-2-ynyl-4-(2,3-dimethylphenyl)pyrazine-2,3-dione
CID 163351440
7-(3-chloro-2-methylphenyl)-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 66828157
2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 7286883
4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine
CID 134086884
2-[4-(2,6-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetic acid
CID 95916364
7-(3-chloro-2-methylphenyl)-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 56948223
7-(3-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 50806233
7-(3-chloro-2-methylphenyl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 50806234
7-(3-chloro-2-methylphenyl)-3-[(2-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one;methane
CID 159732995
2-[7-[[3-(3-chloro-2-methylphenyl)oxetan-3-yl]amino]-1-oxoisoquinolin-2-yl]acetamide
CID 177346544
2-(3-formyl-2-oxo-1-pyridinyl)acetamide
CID 82409228

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The IUPAC name of 2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide (CID 7286875) is 2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide is Cc1c(Cl)cccc1-n1ccn(CC(N)=O)c(=O)c1=O.
What is the InChIKey of 2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The InChIKey is STJHEAFQFVHLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-8-9(14)3-2-4-10(8)17-6-5-16(7-11(15)18)12(19)13(17)20/h2-6H,7H2,1H3,(H2,15,18).
What are the key properties of 2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide has a molecular weight of 293.71 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide is sourced from PubChem (CID 7286875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).