2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide

C16H15Br2NO4 — CID 1181190

IUPAC2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2ccc(Br)cc2Br)c1
InChIInChI=1S/C16H15Br2NO4/c1-21-11-4-6-15(22-2)13(8-11)19-16(20)9-23-14-5-3-10(17)7-12(14)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyPHSIJZLZLLMJKE-UHFFFAOYSA-N
MW445.11 g/mol
LogP4.25
Rot. Bonds6

About 2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide

2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 1181190) has the molecular formula C16H15Br2NO4 and a molecular weight of 445.11 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID1181190
Molecular FormulaC16H15Br2NO4
Molecular Weight445.11 g/mol
Exact Mass442.94
IUPAC Name2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2ccc(Br)cc2Br)c1
InChIInChI=1S/C16H15Br2NO4/c1-21-11-4-6-15(22-2)13(8-11)19-16(20)9-23-14-5-3-10(17)7-12(14)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyPHSIJZLZLLMJKE-UHFFFAOYSA-N
XLogP4.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.11
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-propan-2-ylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 19201682
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-(5-bromo-2-methoxyphenyl)-2-phenoxyacetamide
CID 47317656
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
2-(2-chloro-5-methylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 7778322
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 7962741
2-(2,4-difluorophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 39908076
2-(4-bromo-2-methylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1363313
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 104704640

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide (CID 1181190) is 2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)COc2ccc(Br)cc2Br)c1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is PHSIJZLZLLMJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO4/c1-21-11-4-6-15(22-2)13(8-11)19-16(20)9-23-14-5-3-10(17)7-12(14)18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide?
2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 445.11 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1181190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).