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

C10H8BrFN4O — CID 103769476

IUPAC3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1ncnc1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H8BrFN4O/c1-16-10(13-5-14-16)15-9(17)6-2-3-8(12)7(11)4-6/h2-5H,1H3,(H,13,14,15,17)
InChIKeyUFYVLJGSYOTTBK-UHFFFAOYSA-N
MW299.10 g/mol
LogP1.97
Rot. Bonds2

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

3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 103769476) has the molecular formula C10H8BrFN4O and a molecular weight of 299.10 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID103769476
Molecular FormulaC10H8BrFN4O
Molecular Weight299.10 g/mol
Exact Mass297.99
IUPAC Name3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1ncnc1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H8BrFN4O/c1-16-10(13-5-14-16)15-9(17)6-2-3-8(12)7(11)4-6/h2-5H,1H3,(H,13,14,15,17)
InChIKeyUFYVLJGSYOTTBK-UHFFFAOYSA-N
XLogP1.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80710118
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80709266
4-hydroxy-3-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 113357521
N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103800959
N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide
CID 80709605
3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
CID 107949162
2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 107949182
3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 103715047
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107953830
3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
CID 103714167
N-(2-methyl-1,2,4-triazol-3-yl)acetamide
CID 119096873

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide (CID 103769476) is 3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is Cn1ncnc1NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is UFYVLJGSYOTTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4O/c1-16-10(13-5-14-16)15-9(17)6-2-3-8(12)7(11)4-6/h2-5H,1H3,(H,13,14,15,17).
What are the key properties of 3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide?
3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 299.10 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 103769476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).