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

C10H8BrFN4O — CID 78928260

IUPAC3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2cc(F)cc(Br)c2)n[nH]1
InChIInChI=1S/C10H8BrFN4O/c1-5-13-10(16-15-5)14-9(17)6-2-7(11)4-8(12)3-6/h2-4H,1H3,(H2,13,14,15,16,17)
InChIKeyPLJQBUSMFBJBPM-UHFFFAOYSA-N
MW299.10 g/mol
LogP2.27
Rot. Bonds2

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

3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 78928260) has the molecular formula C10H8BrFN4O and a molecular weight of 299.10 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID78928260
Molecular FormulaC10H8BrFN4O
Molecular Weight299.10 g/mol
Exact Mass297.99
IUPAC Name3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2cc(F)cc(Br)c2)n[nH]1
InChIInChI=1S/C10H8BrFN4O/c1-5-13-10(16-15-5)14-9(17)6-2-7(11)4-8(12)3-6/h2-4H,1H3,(H2,13,14,15,16,17)
InChIKeyPLJQBUSMFBJBPM-UHFFFAOYSA-N
XLogP2.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 112705907
3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 46489276
4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 103830032
3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide
CID 107592505
2,6-difluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 82815861
5-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 79003749
3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide
CID 61393796
4-(bromomethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 102851939
5-bromo-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 79964883
3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928120
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
2-(2-bromo-4-fluorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 167947878

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 78928260) is 3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is Cc1nc(NC(=O)c2cc(F)cc(Br)c2)n[nH]1.
What is the InChIKey of 3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is PLJQBUSMFBJBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4O/c1-5-13-10(16-15-5)14-9(17)6-2-7(11)4-8(12)3-6/h2-4H,1H3,(H2,13,14,15,16,17).
What are the key properties of 3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 299.10 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 78928260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).