4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide

C15H9BrFN3O — CID 60811844

IUPAC4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide
SMILESO=C(Nc1ccc2nccnc2c1)c1ccc(Br)cc1F
InChIInChI=1S/C15H9BrFN3O/c16-9-1-3-11(12(17)7-9)15(21)20-10-2-4-13-14(8-10)19-6-5-18-13/h1-8H,(H,20,21)
InChIKeyYBCQFDVZJWTAJK-UHFFFAOYSA-N
MW346.16 g/mol
LogP3.78
Rot. Bonds2

About 4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide

4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide (PubChem CID 60811844) has the molecular formula C15H9BrFN3O and a molecular weight of 346.16 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide
PubChem CID60811844
Molecular FormulaC15H9BrFN3O
Molecular Weight346.16 g/mol
Exact Mass344.99
IUPAC Name4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide
SMILESO=C(Nc1ccc2nccnc2c1)c1ccc(Br)cc1F
InChIInChI=1S/C15H9BrFN3O/c16-9-1-3-11(12(17)7-9)15(21)20-10-2-4-13-14(8-10)19-6-5-18-13/h1-8H,(H,20,21)
InChIKeyYBCQFDVZJWTAJK-UHFFFAOYSA-N
XLogP3.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.16
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-N-quinoxalin-6-ylpyridine-4-carboxamide
CID 105380445
4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide
CID 33154064
2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide
CID 103754637
4-[(4-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 24703063
4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43100929
N-(4-amino-3-chlorophenyl)-4-bromo-2-fluorobenzamide
CID 82861279
4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
4-bromo-N-(4-carbamothioylphenyl)-2-fluorobenzamide
CID 28539669
4-bromo-2-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 55210684
4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 9072559
4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 103774690
4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid
CID 107793046

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide?
The IUPAC name of 4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide (CID 60811844) is 4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide is O=C(Nc1ccc2nccnc2c1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide?
The InChIKey is YBCQFDVZJWTAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFN3O/c16-9-1-3-11(12(17)7-9)15(21)20-10-2-4-13-14(8-10)19-6-5-18-13/h1-8H,(H,20,21).
What are the key properties of 4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide?
4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide has a molecular weight of 346.16 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide is sourced from PubChem (CID 60811844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).