5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

C10H5BrF4N4O — CID 36580797

IUPAC5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc(Br)ccc1F
InChIInChI=1S/C10H5BrF4N4O/c11-4-1-2-6(12)5(3-4)7(20)16-9-17-8(18-19-9)10(13,14)15/h1-3H,(H2,16,17,18,19,20)
InChIKeyYLZDOHVJZPGHGF-UHFFFAOYSA-N
MW353.07 g/mol
LogP2.98
Rot. Bonds2

About 5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 36580797) has the molecular formula C10H5BrF4N4O and a molecular weight of 353.07 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID36580797
Molecular FormulaC10H5BrF4N4O
Molecular Weight353.07 g/mol
Exact Mass351.96
IUPAC Name5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc(Br)ccc1F
InChIInChI=1S/C10H5BrF4N4O/c11-4-1-2-6(12)5(3-4)7(20)16-9-17-8(18-19-9)10(13,14)15/h1-3H,(H2,16,17,18,19,20)
InChIKeyYLZDOHVJZPGHGF-UHFFFAOYSA-N
XLogP2.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.07
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(methylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 134023104
5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112690348
5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide
CID 89443501
5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64793128
5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide
CID 104856789
6-chloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 134023049
5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
CID 28739625
5-bromo-2-fluoro-N-(2-fluorophenyl)benzamide
CID 24699182
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
5-bromo-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24696228
5-bromo-2-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide
CID 115669438
5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide
CID 28547728

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (CID 36580797) is 5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is YLZDOHVJZPGHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF4N4O/c11-4-1-2-6(12)5(3-4)7(20)16-9-17-8(18-19-9)10(13,14)15/h1-3H,(H2,16,17,18,19,20).
What are the key properties of 5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 353.07 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 36580797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).