2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide

C17H17BrClNO2 — CID 5169100

IUPAC2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2cc(Cl)ccc2C)c(Br)c1
InChIInChI=1S/C17H17BrClNO2/c1-10-6-12(3)17(14(18)7-10)22-9-16(21)20-15-8-13(19)5-4-11(15)2/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyHUZKTZFMTDLCTC-UHFFFAOYSA-N
MW382.69 g/mol
LogP5.05
Rot. Bonds4

About 2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide

2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 5169100) has the molecular formula C17H17BrClNO2 and a molecular weight of 382.69 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID5169100
Molecular FormulaC17H17BrClNO2
Molecular Weight382.69 g/mol
Exact Mass381.01
IUPAC Name2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2cc(Cl)ccc2C)c(Br)c1
InChIInChI=1S/C17H17BrClNO2/c1-10-6-12(3)17(14(18)7-10)22-9-16(21)20-15-8-13(19)5-4-11(15)2/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyHUZKTZFMTDLCTC-UHFFFAOYSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.69
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 23909609
N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 8759054
N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178170
N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 55369187
2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 126271360
N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)propanediamide
CID 108955160
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 19202393
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 19180419
2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide
CID 23737057
2-(2-bromo-4-propylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 19202395
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
2-[2-bromo-6-methoxy-4-(4-methylpiperazine-1-carbothioyl)phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
CID 126277280

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide (CID 5169100) is 2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide is Cc1cc(C)c(OCC(=O)Nc2cc(Cl)ccc2C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is HUZKTZFMTDLCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO2/c1-10-6-12(3)17(14(18)7-10)22-9-16(21)20-15-8-13(19)5-4-11(15)2/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide?
2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 382.69 g/mol, XLogP of 5.05, 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-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 5169100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).