N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C11H11BrN4O2 — CID 115885261

IUPACN-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)Nc2ccccc2Br)c1=O
InChIInChI=1S/C11H11BrN4O2/c1-15-7-13-16(11(15)18)6-10(17)14-9-5-3-2-4-8(9)12/h2-5,7H,6H2,1H3,(H,14,17)
InChIKeyNOXZAMLZIWHUBI-UHFFFAOYSA-N
MW311.14 g/mol
LogP0.98
Rot. Bonds3

About N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 115885261) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID115885261
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC NameN-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)Nc2ccccc2Br)c1=O
InChIInChI=1S/C11H11BrN4O2/c1-15-7-13-16(11(15)18)6-10(17)14-9-5-3-2-4-8(9)12/h2-5,7H,6H2,1H3,(H,14,17)
InChIKeyNOXZAMLZIWHUBI-UHFFFAOYSA-N
XLogP0.98
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774389
N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
CID 50946792
N-(2-bromophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2098968
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide
CID 50812937
N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624759
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)acetamide
CID 154781725
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(3-phenyloxetan-3-yl)acetamide
CID 136567255
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
[2-(2-bromoanilino)-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734600
N-(2-bromophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2340829
N-(2-bromophenyl)-2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224565
N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673025

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 115885261) is N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is Cn1cnn(CC(=O)Nc2ccccc2Br)c1=O.
What is the InChIKey of N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is NOXZAMLZIWHUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c1-15-7-13-16(11(15)18)6-10(17)14-9-5-3-2-4-8(9)12/h2-5,7H,6H2,1H3,(H,14,17).
What are the key properties of N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 311.14 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 115885261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).