N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide

C16H16F3N3O3 — CID 172906485

IUPACN-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2ccn(CC(F)(F)F)c(=O)c2=O)c1
InChIInChI=1S/C16H16F3N3O3/c1-10-5-11(2)7-12(6-10)20-13(23)8-21-3-4-22(9-16(17,18)19)15(25)14(21)24/h3-7H,8-9H2,1-2H3,(H,20,23)
InChIKeyPJYVHFOJAAIQQT-UHFFFAOYSA-N
MW355.32 g/mol
LogP1.83
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide

N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide (PubChem CID 172906485) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
PubChem CID172906485
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC NameN-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2ccn(CC(F)(F)F)c(=O)c2=O)c1
InChIInChI=1S/C16H16F3N3O3/c1-10-5-11(2)7-12(6-10)20-13(23)8-21-3-4-22(9-16(17,18)19)15(25)14(21)24/h3-7H,8-9H2,1-2H3,(H,20,23)
InChIKeyPJYVHFOJAAIQQT-UHFFFAOYSA-N
XLogP1.83
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.83
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

N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 18591694
2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]-N-phenylacetamide
CID 172893896
N-(3-chlorophenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
CID 172906489
2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 22520493
N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396068
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide
CID 46395161
2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 18591691
ethyl 2-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149387
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138
N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164338
2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide
CID 53111814
2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide
CID 7286900

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide (CID 172906485) is N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide is Cc1cc(C)cc(NC(=O)Cn2ccn(CC(F)(F)F)c(=O)c2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide?
The InChIKey is PJYVHFOJAAIQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-10-5-11(2)7-12(6-10)20-13(23)8-21-3-4-22(9-16(17,18)19)15(25)14(21)24/h3-7H,8-9H2,1-2H3,(H,20,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide has a molecular weight of 355.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide is sourced from PubChem (CID 172906485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).