2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide

C13H17BrClNO3 — CID 65114245

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide
SMILESCCC(C)(O)CNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C13H17BrClNO3/c1-3-13(2,18)8-16-12(17)7-19-11-5-4-9(15)6-10(11)14/h4-6,18H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyPQBWYDWGRKQJMI-UHFFFAOYSA-N
MW350.64 g/mol
LogP2.76
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide

2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide (PubChem CID 65114245) has the molecular formula C13H17BrClNO3 and a molecular weight of 350.64 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide
PubChem CID65114245
Molecular FormulaC13H17BrClNO3
Molecular Weight350.64 g/mol
Exact Mass349.01
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide
SMILESCCC(C)(O)CNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C13H17BrClNO3/c1-3-13(2,18)8-16-12(17)7-19-11-5-4-9(15)6-10(11)14/h4-6,18H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyPQBWYDWGRKQJMI-UHFFFAOYSA-N
XLogP2.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 103712881
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
CID 43091937
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide
CID 56819453
methyl 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]propanoate
CID 17401669
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807752
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 103839500
2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17051867
2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 1287444
2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103825366

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide (CID 65114245) is 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide is CCC(C)(O)CNC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide?
The InChIKey is PQBWYDWGRKQJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO3/c1-3-13(2,18)8-16-12(17)7-19-11-5-4-9(15)6-10(11)14/h4-6,18H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide?
2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide has a molecular weight of 350.64 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide is sourced from PubChem (CID 65114245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).