3-bromo-N-(2-methyltriazol-4-yl)benzamide

C10H9BrN4O — CID 112535280

IUPAC3-bromo-N-(2-methyltriazol-4-yl)benzamide
SMILESCn1ncc(NC(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C10H9BrN4O/c1-15-12-6-9(14-15)13-10(16)7-3-2-4-8(11)5-7/h2-6H,1H3,(H,13,14,16)
InChIKeyYSAGXYIGCJVDMY-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.83
Rot. Bonds2

About 3-bromo-N-(2-methyltriazol-4-yl)benzamide

3-bromo-N-(2-methyltriazol-4-yl)benzamide (PubChem CID 112535280) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 3-bromo-N-(2-methyltriazol-4-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-methyltriazol-4-yl)benzamide
PubChem CID112535280
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name3-bromo-N-(2-methyltriazol-4-yl)benzamide
SMILESCn1ncc(NC(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C10H9BrN4O/c1-15-12-6-9(14-15)13-10(16)7-3-2-4-8(11)5-7/h2-6H,1H3,(H,13,14,16)
InChIKeyYSAGXYIGCJVDMY-UHFFFAOYSA-N
XLogP1.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535277
N-(5-amino-2-pyridinyl)-3-bromobenzamide
CID 43144581
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713
4-ethoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535309
3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213
3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 52886230
3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35761421
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide
CID 113044253
3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide
CID 150802976
methyl 4-[(3-bromobenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749063

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methyltriazol-4-yl)benzamide?
The IUPAC name of 3-bromo-N-(2-methyltriazol-4-yl)benzamide (CID 112535280) is 3-bromo-N-(2-methyltriazol-4-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-methyltriazol-4-yl)benzamide?
The canonical SMILES for 3-bromo-N-(2-methyltriazol-4-yl)benzamide is Cn1ncc(NC(=O)c2cccc(Br)c2)n1.
What is the InChIKey of 3-bromo-N-(2-methyltriazol-4-yl)benzamide?
The InChIKey is YSAGXYIGCJVDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c1-15-12-6-9(14-15)13-10(16)7-3-2-4-8(11)5-7/h2-6H,1H3,(H,13,14,16).
What are the key properties of 3-bromo-N-(2-methyltriazol-4-yl)benzamide?
3-bromo-N-(2-methyltriazol-4-yl)benzamide has a molecular weight of 281.11 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methyltriazol-4-yl)benzamide is sourced from PubChem (CID 112535280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).