5-bromo-2-fluoro-N-quinolin-8-ylbenzamide

C16H10BrFN2O — CID 24710942

IUPAC5-bromo-2-fluoro-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(Br)ccc1F
InChIInChI=1S/C16H10BrFN2O/c17-11-6-7-13(18)12(9-11)16(21)20-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,(H,20,21)
InChIKeyIOPOOKUBXUERIO-UHFFFAOYSA-N
MW345.17 g/mol
LogP4.39
Rot. Bonds2

About 5-bromo-2-fluoro-N-quinolin-8-ylbenzamide

5-bromo-2-fluoro-N-quinolin-8-ylbenzamide (PubChem CID 24710942) has the molecular formula C16H10BrFN2O and a molecular weight of 345.17 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-quinolin-8-ylbenzamide
PubChem CID24710942
Molecular FormulaC16H10BrFN2O
Molecular Weight345.17 g/mol
Exact Mass344.00
IUPAC Name5-bromo-2-fluoro-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(Br)ccc1F
InChIInChI=1S/C16H10BrFN2O/c17-11-6-7-13(18)12(9-11)16(21)20-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,(H,20,21)
InChIKeyIOPOOKUBXUERIO-UHFFFAOYSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
5-bromo-2-fluoro-N-(2-fluorophenyl)benzamide
CID 24699182
4-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846864
2-(5-bromoindol-1-yl)-N-quinolin-8-ylbenzamide
CID 132600973
2-amino-3-bromo-N-quinolin-8-ylbenzamide
CID 110451344
5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide
CID 9405214
2-amino-3-fluoro-N-quinolin-8-ylpyridine-4-carboxamide
CID 105384038
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
N-(6-chloroquinolin-8-yl)-2-fluorobenzamide
CID 39975947
5-fluoro-N-quinolin-8-yl-1H-indole-3-carboxamide
CID 113205746
N-(2-acetylphenyl)-5-bromo-2-fluorobenzamide
CID 24711733

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-quinolin-8-ylbenzamide?
The IUPAC name of 5-bromo-2-fluoro-N-quinolin-8-ylbenzamide (CID 24710942) is 5-bromo-2-fluoro-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-quinolin-8-ylbenzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-quinolin-8-ylbenzamide?
The InChIKey is IOPOOKUBXUERIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O/c17-11-6-7-13(18)12(9-11)16(21)20-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,(H,20,21).
What are the key properties of 5-bromo-2-fluoro-N-quinolin-8-ylbenzamide?
5-bromo-2-fluoro-N-quinolin-8-ylbenzamide has a molecular weight of 345.17 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 24710942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).