N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide

C15H12BrClN4O2 — CID 2695468

IUPACN-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
SMILESCc1ccc(NC(=O)COn2nnc3ccc(Cl)cc32)c(Br)c1
InChIInChI=1S/C15H12BrClN4O2/c1-9-2-4-12(11(16)6-9)18-15(22)8-23-21-14-7-10(17)3-5-13(14)19-20-21/h2-7H,8H2,1H3,(H,18,22)
InChIKeyKOHWCJSAUMYXJF-UHFFFAOYSA-N
MW395.64 g/mol
LogP3.22
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide

N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide (PubChem CID 2695468) has the molecular formula C15H12BrClN4O2 and a molecular weight of 395.64 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
PubChem CID2695468
Molecular FormulaC15H12BrClN4O2
Molecular Weight395.64 g/mol
Exact Mass393.98
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
SMILESCc1ccc(NC(=O)COn2nnc3ccc(Cl)cc32)c(Br)c1
InChIInChI=1S/C15H12BrClN4O2/c1-9-2-4-12(11(16)6-9)18-15(22)8-23-21-14-7-10(17)3-5-13(14)19-20-21/h2-7H,8H2,1H3,(H,18,22)
InChIKeyKOHWCJSAUMYXJF-UHFFFAOYSA-N
XLogP3.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.64
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2641213
2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-chlorophenyl)acetamide
CID 7696682
N-(4-chloro-2-methylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697350
methyl 3-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706071
N-(4-chloro-2-fluorophenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 7701538
2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide
CID 2108008
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
ethyl 2-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7696888
2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 4669415
N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955213
N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 7751301
2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 856354

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide (CID 2695468) is N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide is Cc1ccc(NC(=O)COn2nnc3ccc(Cl)cc32)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide?
The InChIKey is KOHWCJSAUMYXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN4O2/c1-9-2-4-12(11(16)6-9)18-15(22)8-23-21-14-7-10(17)3-5-13(14)19-20-21/h2-7H,8H2,1H3,(H,18,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide?
N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide has a molecular weight of 395.64 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide is sourced from PubChem (CID 2695468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).