2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide

C13H17Br2NO4 — CID 115902198

IUPAC2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CCO)C(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2NO4/c1-19-7-5-16(4-6-17)13(18)9-20-12-3-2-10(14)8-11(12)15/h2-3,8,17H,4-7,9H2,1H3
InChIKeyHZZOYOCJUGUMSY-UHFFFAOYSA-N
MW411.09 g/mol
LogP2.06
Rot. Bonds8

About 2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide

2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide (PubChem CID 115902198) has the molecular formula C13H17Br2NO4 and a molecular weight of 411.09 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
PubChem CID115902198
Molecular FormulaC13H17Br2NO4
Molecular Weight411.09 g/mol
Exact Mass408.95
IUPAC Name2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CCO)C(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2NO4/c1-19-7-5-16(4-6-17)13(18)9-20-12-3-2-10(14)8-11(12)15/h2-3,8,17H,4-7,9H2,1H3
InChIKeyHZZOYOCJUGUMSY-UHFFFAOYSA-N
XLogP2.06
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.09
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 60655130
2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115772778
2-(2-bromophenoxy)-N,N-bis(2-methoxyethyl)acetamide
CID 112777986
2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 60653739
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60682396
2-(4-ethoxyphenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902367
3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902504
2-(3,5-dimethylphenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902469
2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902380
5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113351116
2-(2-bromo-4-methylphenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107483037
2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55981552

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide (CID 115902198) is 2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide is COCCN(CCO)C(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is HZZOYOCJUGUMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO4/c1-19-7-5-16(4-6-17)13(18)9-20-12-3-2-10(14)8-11(12)15/h2-3,8,17H,4-7,9H2,1H3.
What are the key properties of 2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
2-(2,4-dibromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 411.09 g/mol, XLogP of 2.06, 8 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-hydroxyethyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115902198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).