2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide

C16H14BrCl2NO2 — CID 3966844

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(Cl)cc2Br)c(Cl)c1
InChIInChI=1S/C16H14BrCl2NO2/c1-9-5-10(2)16(13(19)6-9)20-15(21)8-22-14-4-3-11(18)7-12(14)17/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyCGVCGIVHKXRKTQ-UHFFFAOYSA-N
MW403.10 g/mol
LogP5.39
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide

2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide (PubChem CID 3966844) has the molecular formula C16H14BrCl2NO2 and a molecular weight of 403.10 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
PubChem CID3966844
Molecular FormulaC16H14BrCl2NO2
Molecular Weight403.10 g/mol
Exact Mass400.96
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(Cl)cc2Br)c(Cl)c1
InChIInChI=1S/C16H14BrCl2NO2/c1-9-5-10(2)16(13(19)6-9)20-15(21)8-22-14-4-3-11(18)7-12(14)17/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyCGVCGIVHKXRKTQ-UHFFFAOYSA-N
XLogP5.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.10
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide 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

2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 19202727
2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 112828409
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036
N-(2-chloro-4,6-dimethylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 2534815
2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 17201772
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814259
2-(2-acetyl-4-fluorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 112774554
N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178203
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 7723024
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16548228
methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate
CID 7764012

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide (CID 3966844) is 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2Br)c(Cl)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The InChIKey is CGVCGIVHKXRKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO2/c1-9-5-10(2)16(13(19)6-9)20-15(21)8-22-14-4-3-11(18)7-12(14)17/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide?
2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide has a molecular weight of 403.10 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide is sourced from PubChem (CID 3966844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).