2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide

C16H14BrCl2NO2 — CID 17095271

IUPAC2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1C
InChIInChI=1S/C16H14BrCl2NO2/c1-9-3-4-12(5-10(9)2)20-15(21)8-22-16-13(17)6-11(18)7-14(16)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyPGOQPWUJQWGJBS-UHFFFAOYSA-N
MW403.10 g/mol
LogP5.39
Rot. Bonds4

About 2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide

2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 17095271) has the molecular formula C16H14BrCl2NO2 and a molecular weight of 403.10 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
PubChem CID17095271
Molecular FormulaC16H14BrCl2NO2
Molecular Weight403.10 g/mol
Exact Mass400.96
IUPAC Name2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1C
InChIInChI=1S/C16H14BrCl2NO2/c1-9-3-4-12(5-10(9)2)20-15(21)8-22-16-13(17)6-11(18)7-14(16)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyPGOQPWUJQWGJBS-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-4,6-dichlorophenoxy)-N-(3,4-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

N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 17202569
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 19628023
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17095349
2-(2,4-dichloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 1121099
2-(2,4-dichloro-6-methylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 1348476
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 17095347
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 17095423
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 17095292
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide
CID 17096539
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 17095298
2-[2-chloro-4-[(E)-hydroxyiminomethyl]-6-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126272531

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide (CID 17095271) is 2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1C.
What is the InChIKey of 2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is PGOQPWUJQWGJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO2/c1-9-3-4-12(5-10(9)2)20-15(21)8-22-16-13(17)6-11(18)7-14(16)19/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide?
2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-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-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 17095271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).