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

C17H14BrN3O3 — CID 110396413

IUPAC2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)c1ccccc1Br
InChIInChI=1S/C17H14BrN3O3/c18-12-6-2-1-5-11(12)15(22)19-9-10-21-14-8-4-3-7-13(14)20-16(23)17(21)24/h1-8H,9-10H2,(H,19,22)(H,20,23)
InChIKeyLZLQBDIGKXVWPK-UHFFFAOYSA-N
MW388.22 g/mol
LogP1.88
Rot. Bonds4

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

2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide (PubChem CID 110396413) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is 2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
PubChem CID110396413
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC Name2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
SMILESO=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)c1ccccc1Br
InChIInChI=1S/C17H14BrN3O3/c18-12-6-2-1-5-11(12)15(22)19-9-10-21-14-8-4-3-7-13(14)20-16(23)17(21)24/h1-8H,9-10H2,(H,19,22)(H,20,23)
InChIKeyLZLQBDIGKXVWPK-UHFFFAOYSA-N
XLogP1.88
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methylbenzamide
CID 110396409
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide
CID 110396450
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-fluorobenzamide
CID 110396411
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide
CID 110396403
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-carboxamide
CID 110396405
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110396431
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide
CID 110396408
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 71705470
2-bromo-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716239
ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
CID 163261599
4-pentyl-1H-quinoxaline-2,3-dione
CID 169224633
2,3,4-trifluoro-N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide
CID 113092143

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide (CID 110396413) is 2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide is O=C(NCCn1c(=O)c(=O)[nH]c2ccccc21)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide?
The InChIKey is LZLQBDIGKXVWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c18-12-6-2-1-5-11(12)15(22)19-9-10-21-14-8-4-3-7-13(14)20-16(23)17(21)24/h1-8H,9-10H2,(H,19,22)(H,20,23).
What are the key properties of 2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide?
2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide has a molecular weight of 388.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]benzamide is sourced from PubChem (CID 110396413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).