4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide

C21H14BrN3O — CID 2233095

IUPAC4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide
SMILESO=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccc(Br)cc1
InChIInChI=1S/C21H14BrN3O/c22-16-10-8-14(9-11-16)21(26)24-17-5-3-4-15(12-17)20-13-23-18-6-1-2-7-19(18)25-20/h1-13H,(H,24,26)
InChIKeyLUDHXLXLRHWNRO-UHFFFAOYSA-N
MW404.27 g/mol
LogP5.31
Rot. Bonds3

About 4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide

4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide (PubChem CID 2233095) has the molecular formula C21H14BrN3O and a molecular weight of 404.27 g/mol. Its IUPAC name is 4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide
PubChem CID2233095
Molecular FormulaC21H14BrN3O
Molecular Weight404.27 g/mol
Exact Mass403.03
IUPAC Name4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide
SMILESO=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccc(Br)cc1
InChIInChI=1S/C21H14BrN3O/c22-16-10-8-14(9-11-16)21(26)24-17-5-3-4-15(12-17)20-13-23-18-6-1-2-7-19(18)25-20/h1-13H,(H,24,26)
InChIKeyLUDHXLXLRHWNRO-UHFFFAOYSA-N
XLogP5.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.27
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2224328
N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride
CID 73427550
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 27195301
4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748532
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea
CID 1485415
4-bromo-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 4215740
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate
CID 19616159
4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041739

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide?
The IUPAC name of 4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide (CID 2233095) is 4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide?
The canonical SMILES for 4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide is O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide?
The InChIKey is LUDHXLXLRHWNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN3O/c22-16-10-8-14(9-11-16)21(26)24-17-5-3-4-15(12-17)20-13-23-18-6-1-2-7-19(18)25-20/h1-13H,(H,24,26).
What are the key properties of 4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide?
4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide has a molecular weight of 404.27 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide is sourced from PubChem (CID 2233095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).