2-bromo-5-fluoro-N-pyridin-4-ylbenzamide

C12H8BrFN2O — CID 24689645

IUPAC2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cc(F)ccc1Br
InChIInChI=1S/C12H8BrFN2O/c13-11-2-1-8(14)7-10(11)12(17)16-9-3-5-15-6-4-9/h1-7H,(H,15,16,17)
InChIKeyNTRVBZNMAMCLAS-UHFFFAOYSA-N
MW295.11 g/mol
LogP3.24
Rot. Bonds2

About 2-bromo-5-fluoro-N-pyridin-4-ylbenzamide

2-bromo-5-fluoro-N-pyridin-4-ylbenzamide (PubChem CID 24689645) has the molecular formula C12H8BrFN2O and a molecular weight of 295.11 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
PubChem CID24689645
Molecular FormulaC12H8BrFN2O
Molecular Weight295.11 g/mol
Exact Mass293.98
IUPAC Name2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cc(F)ccc1Br
InChIInChI=1S/C12H8BrFN2O/c13-11-2-1-8(14)7-10(11)12(17)16-9-3-5-15-6-4-9/h1-7H,(H,15,16,17)
InChIKeyNTRVBZNMAMCLAS-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.11
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
CID 35828938
2-bromo-5-fluoro-N-pyridin-3-ylbenzamide
CID 24699857
4-[(2-bromo-5-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43102869
N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide
CID 16777839
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116
2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide
CID 64789249
N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide
CID 16777113
N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide
CID 51127237
2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide
CID 113270977
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
CID 113250431

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-bromo-5-fluoro-N-pyridin-4-ylbenzamide (CID 24689645) is 2-bromo-5-fluoro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-pyridin-4-ylbenzamide?
The InChIKey is NTRVBZNMAMCLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O/c13-11-2-1-8(14)7-10(11)12(17)16-9-3-5-15-6-4-9/h1-7H,(H,15,16,17).
What are the key properties of 2-bromo-5-fluoro-N-pyridin-4-ylbenzamide?
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide has a molecular weight of 295.11 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 24689645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).