2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide

C16H14BrCl2NO2 — CID 23909609

IUPAC2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1
InChIInChI=1S/C16H14BrCl2NO2/c1-9-5-10(2)16(12(17)6-9)22-8-15(21)20-14-4-3-11(18)7-13(14)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyNVQIOJSOWYNYOB-UHFFFAOYSA-N
MW403.10 g/mol
LogP5.39
Rot. Bonds4

About 2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide

2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide (PubChem CID 23909609) has the molecular formula C16H14BrCl2NO2 and a molecular weight of 403.10 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide
PubChem CID23909609
Molecular FormulaC16H14BrCl2NO2
Molecular Weight403.10 g/mol
Exact Mass400.96
IUPAC Name2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1
InChIInChI=1S/C16H14BrCl2NO2/c1-9-5-10(2)16(12(17)6-9)22-8-15(21)20-14-4-3-11(18)7-13(14)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyNVQIOJSOWYNYOB-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

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Related Compounds

2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 5169100
2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
CID 3382314
N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 8759054
N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178144
N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 55369187
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 2275203
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-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380158
2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 4512628
N-(2-amino-4-chlorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 91689111
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide (CID 23909609) is 2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide is Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is NVQIOJSOWYNYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO2/c1-9-5-10(2)16(12(17)6-9)22-8-15(21)20-14-4-3-11(18)7-13(14)19/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide?
2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)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-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 23909609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).