2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide

C13H17Br2NO2 — CID 104920342

IUPAC2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
SMILESCC(C)(CCO)CNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H17Br2NO2/c1-13(2,5-6-17)8-16-12(18)10-7-9(14)3-4-11(10)15/h3-4,7,17H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyXSBDESBBCYAAET-UHFFFAOYSA-N
MW379.09 g/mol
LogP3.35
Rot. Bonds5

About 2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide

2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide (PubChem CID 104920342) has the molecular formula C13H17Br2NO2 and a molecular weight of 379.09 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
PubChem CID104920342
Molecular FormulaC13H17Br2NO2
Molecular Weight379.09 g/mol
Exact Mass376.96
IUPAC Name2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
SMILESCC(C)(CCO)CNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H17Br2NO2/c1-13(2,5-6-17)8-16-12(18)10-7-9(14)3-4-11(10)15/h3-4,7,17H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyXSBDESBBCYAAET-UHFFFAOYSA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.09
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772446
2-bromo-5-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 113258866
5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide
CID 103899328
2-bromo-5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899354
2-bromo-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825239
2-bromo-4-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772342
2-bromo-N-(5-chloro-2,2-dimethylpentyl)-5-methylbenzamide
CID 106144084
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide
CID 114149605
2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 104625413
2-bromo-N-(5-bromo-2,2-dimethylpentyl)-5-fluorobenzamide
CID 114149717
4-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-methylbenzamide
CID 106144494

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide (CID 104920342) is 2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide is CC(C)(CCO)CNC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
The InChIKey is XSBDESBBCYAAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO2/c1-13(2,5-6-17)8-16-12(18)10-7-9(14)3-4-11(10)15/h3-4,7,17H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of 2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide has a molecular weight of 379.09 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide is sourced from PubChem (CID 104920342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).