2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide

C14H19Br2NO3 — CID 103825366

IUPAC2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
SMILESCC(C)(CCO)CNC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2NO3/c1-14(2,5-6-18)9-17-13(19)8-20-12-4-3-10(15)7-11(12)16/h3-4,7,18H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyPVNYLFFXCYOVKI-UHFFFAOYSA-N
MW409.12 g/mol
LogP3.12
Rot. Bonds7

About 2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide

2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide (PubChem CID 103825366) has the molecular formula C14H19Br2NO3 and a molecular weight of 409.12 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
PubChem CID103825366
Molecular FormulaC14H19Br2NO3
Molecular Weight409.12 g/mol
Exact Mass406.97
IUPAC Name2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
SMILESCC(C)(CCO)CNC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2NO3/c1-14(2,5-6-18)9-17-13(19)8-20-12-4-3-10(15)7-11(12)16/h3-4,7,18H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyPVNYLFFXCYOVKI-UHFFFAOYSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.12
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 103772604
2-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382
2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 104920342
2-(2,4-dibromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751475
2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17051867
2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114245
(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 54991092
1-tert-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]thiourea
CID 26286565
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide
CID 2632590
2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862131
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]-2,2-dimethylpropanamide
CID 4927735

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide (CID 103825366) is 2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide is CC(C)(CCO)CNC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
The InChIKey is PVNYLFFXCYOVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO3/c1-14(2,5-6-18)9-17-13(19)8-20-12-4-3-10(15)7-11(12)16/h3-4,7,18H,5-6,8-9H2,1-2H3,(H,17,19).
What are the key properties of 2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide has a molecular weight of 409.12 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide is sourced from PubChem (CID 103825366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).