2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide

C17H17BrClNO2 — CID 112828409

IUPAC2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2cc(Br)ccc2Cl)c(C)c1
InChIInChI=1S/C17H17BrClNO2/c1-10-6-11(2)17(12(3)7-10)20-16(21)9-22-15-8-13(18)4-5-14(15)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyNFEPTLYUIZWCMT-UHFFFAOYSA-N
MW382.69 g/mol
LogP5.05
Rot. Bonds4

About 2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide

2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 112828409) has the molecular formula C17H17BrClNO2 and a molecular weight of 382.69 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID112828409
Molecular FormulaC17H17BrClNO2
Molecular Weight382.69 g/mol
Exact Mass381.01
IUPAC Name2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2cc(Br)ccc2Cl)c(C)c1
InChIInChI=1S/C17H17BrClNO2/c1-10-6-11(2)17(12(3)7-10)20-16(21)9-22-15-8-13(18)4-5-14(15)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyNFEPTLYUIZWCMT-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-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 19202727
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46786994
2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 3966844
2-(4-bromo-2-chlorophenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 2230439
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
N-(4-bromo-2,6-dimethylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2294565
N-(5-bromo-2-methylphenyl)-2-(2-chlorophenoxy)acetamide
CID 55804154
methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate
CID 7764012
2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 695854
N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178203
N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 1326101

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide (CID 112828409) is 2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)COc2cc(Br)ccc2Cl)c(C)c1.
What is the InChIKey of 2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is NFEPTLYUIZWCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO2/c1-10-6-11(2)17(12(3)7-10)20-16(21)9-22-15-8-13(18)4-5-14(15)19/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of 2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)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-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 112828409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).