2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

C16H10F3N3O3 — CID 113195705

IUPAC2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cn1c(=O)c(=O)[nH]c2ccccc21)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H10F3N3O3/c17-8-5-6-10(14(19)13(8)18)20-12(23)7-22-11-4-2-1-3-9(11)21-15(24)16(22)25/h1-6H,7H2,(H,20,23)(H,21,24)
InChIKeySZXOFWJDXYERBK-UHFFFAOYSA-N
MW349.27 g/mol
LogP1.75
Rot. Bonds3

About 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 113195705) has the molecular formula C16H10F3N3O3 and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID113195705
Molecular FormulaC16H10F3N3O3
Molecular Weight349.27 g/mol
Exact Mass349.07
IUPAC Name2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cn1c(=O)c(=O)[nH]c2ccccc21)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H10F3N3O3/c17-8-5-6-10(14(19)13(8)18)20-12(23)7-22-11-4-2-1-3-9(11)21-15(24)16(22)25/h1-6H,7H2,(H,20,23)(H,21,24)
InChIKeySZXOFWJDXYERBK-UHFFFAOYSA-N
XLogP1.75
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide
CID 113195630
N-[4-(diethylamino)-2-methylphenyl]-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195699
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113195549
N-(3-cyanophenyl)-2-(2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195702
2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26660566
N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195817
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 16591097
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612358
2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 4280823
2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 113211384
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 113195807
2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 2697464

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 113195705) is 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is O=C(Cn1c(=O)c(=O)[nH]c2ccccc21)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is SZXOFWJDXYERBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O3/c17-8-5-6-10(14(19)13(8)18)20-12(23)7-22-11-4-2-1-3-9(11)21-15(24)16(22)25/h1-6H,7H2,(H,20,23)(H,21,24).
What are the key properties of 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 349.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 113195705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).