(E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide

C17H11BrFN3O — CID 26691595

IUPAC(E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H11BrFN3O/c18-11-5-7-14(13(19)9-11)22-17(23)8-6-12-10-20-15-3-1-2-4-16(15)21-12/h1-10H,(H,22,23)/b8-6+
InChIKeyBEDGCTGRIRKWQJ-SOFGYWHQSA-N
MW372.20 g/mol
LogP4.18
Rot. Bonds3

About (E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide

(E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 26691595) has the molecular formula C17H11BrFN3O and a molecular weight of 372.20 g/mol. Its IUPAC name is (E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
PubChem CID26691595
Molecular FormulaC17H11BrFN3O
Molecular Weight372.20 g/mol
Exact Mass371.01
IUPAC Name(E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)Nc1ccc(Br)cc1F
InChIInChI=1S/C17H11BrFN3O/c18-11-5-7-14(13(19)9-11)22-17(23)8-6-12-10-20-15-3-1-2-4-16(15)21-12/h1-10H,(H,22,23)/b8-6+
InChIKeyBEDGCTGRIRKWQJ-SOFGYWHQSA-N
XLogP4.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.20
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
6-Bromo-7-fluoroquinoxaline
CID 59286319
3-(4-bromophenyl)-N-(3-quinolinyl)acrylamide
CID 998416
Benzamide, 4-fluoro-N-(6-bromoquinol-8-yl)-
CID 579404
4-bromo-N-(5-fluoroquinolin-8-yl)benzamide
CID 138983557
3-bromo-N-(5-fluoroquinolin-8-yl)benzamide
CID 177852757
5-bromo-1-[(E)-3-quinoxalin-2-ylprop-2-enyl]-2,3-dihydropyridin-6-one
CID 172462945
N-(4-bromo-2-fluorophenyl)-2-quinoxalin-2-yloxyacetamide
CID 2124321
N-(3-fluorophenyl)quinoxaline-2-carboxamide
CID 8315369
N-(3,5-difluorophenyl)quinoxaline-2-carboxamide
CID 9453250
N-(3,4-difluorophenyl)quinoxaline-2-carboxamide
CID 17417974
N-(4-Bromo-2-fluorophenyl)-2-{4-oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}acetamide
CID 22522517

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide (CID 26691595) is (E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide is O=C(/C=C/c1cnc2ccccc2n1)Nc1ccc(Br)cc1F.
What is the InChIKey of (E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is BEDGCTGRIRKWQJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H11BrFN3O/c18-11-5-7-14(13(19)9-11)22-17(23)8-6-12-10-20-15-3-1-2-4-16(15)21-12/h1-10H,(H,22,23)/b8-6+.
What are the key properties of (E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 372.20 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromo-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 26691595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).