2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide

C17H11F4N3O3 — CID 113092143

IUPAC2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1c(=O)c(=O)[nH]c2cc(F)ccc21)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H11F4N3O3/c18-8-1-4-12-11(7-8)23-16(26)17(27)24(12)6-5-22-15(25)9-2-3-10(19)14(21)13(9)20/h1-4,7H,5-6H2,(H,22,25)(H,23,26)
InChIKeyWUKPTYLPVQZMDM-UHFFFAOYSA-N
MW381.29 g/mol
LogP1.68
Rot. Bonds4

About 2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide

2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide (PubChem CID 113092143) has the molecular formula C17H11F4N3O3 and a molecular weight of 381.29 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
PubChem CID113092143
Molecular FormulaC17H11F4N3O3
Molecular Weight381.29 g/mol
Exact Mass381.07
IUPAC Name2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1c(=O)c(=O)[nH]c2cc(F)ccc21)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H11F4N3O3/c18-8-1-4-12-11(7-8)23-16(26)17(27)24(12)6-5-22-15(25)9-2-3-10(19)14(21)13(9)20/h1-4,7H,5-6H2,(H,22,25)(H,23,26)
InChIKeyWUKPTYLPVQZMDM-UHFFFAOYSA-N
XLogP1.68
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.29
LogP ≤ 51.68
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

N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-fluorobenzamide
CID 110396411
3,4-difluoro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 113092250
7-fluoro-4-propyl-1H-quinoxaline-2,3-dione
CID 10680528
4-[2-(dimethylsulfamoylamino)ethyl]-7-fluoro-2,3-dioxo-1H-quinoxaline
CID 113092163
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110396431
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113195740
3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 113092241
2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
CID 110396413
2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)-N-(3-methylbutyl)acetamide
CID 113195779
1-(2-acetamidoethyl)-2,3-dioxo-4H-quinoxaline-6-carboxylic acid
CID 43552815
N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide
CID 113092178
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3-methylbutanamide
CID 113092201

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide (CID 113092143) is 2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide is O=C(NCCn1c(=O)c(=O)[nH]c2cc(F)ccc21)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide?
The InChIKey is WUKPTYLPVQZMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O3/c18-8-1-4-12-11(7-8)23-16(26)17(27)24(12)6-5-22-15(25)9-2-3-10(19)14(21)13(9)20/h1-4,7H,5-6H2,(H,22,25)(H,23,26).
What are the key properties of 2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide?
2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide has a molecular weight of 381.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide is sourced from PubChem (CID 113092143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).