2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide

C15H13BrN4O — CID 856354

IUPAC2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc3ccccc32)c(Br)c1
InChIInChI=1S/C15H13BrN4O/c1-10-6-7-12(11(16)8-10)17-15(21)9-20-14-5-3-2-4-13(14)18-19-20/h2-8H,9H2,1H3,(H,17,21)
InChIKeyXVDPTACXROQQEX-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.14
Rot. Bonds3

About 2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide

2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide (PubChem CID 856354) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
PubChem CID856354
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc3ccccc32)c(Br)c1
InChIInChI=1S/C15H13BrN4O/c1-10-6-7-12(11(16)8-10)17-15(21)9-20-14-5-3-2-4-13(14)18-19-20/h2-8H,9H2,1H3,(H,17,21)
InChIKeyXVDPTACXROQQEX-UHFFFAOYSA-N
XLogP3.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
1-[2-(2-bromo-4-methylanilino)-2-oxoethyl]triazole-4,5-dicarboxylic acid
CID 112707385
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858697
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030
2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 43989192
2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
CID 51288230
N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide
CID 17457964
2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide
CID 8002209
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2695468
2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 7504195

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide (CID 856354) is 2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nnc3ccccc32)c(Br)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide?
The InChIKey is XVDPTACXROQQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-10-6-7-12(11(16)8-10)17-15(21)9-20-14-5-3-2-4-13(14)18-19-20/h2-8H,9H2,1H3,(H,17,21).
What are the key properties of 2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide?
2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide has a molecular weight of 345.20 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 856354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).