3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide

C12H15Br2NO2 — CID 103908910

IUPAC3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide
SMILESCCC(C)(O)CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-3-12(2,17)7-15-11(16)8-4-9(13)6-10(14)5-8/h4-6,17H,3,7H2,1-2H3,(H,15,16)
InChIKeyQIHFOZFVQXLREQ-UHFFFAOYSA-N
MW365.07 g/mol
LogP3.10
Rot. Bonds4

About 3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide

3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide (PubChem CID 103908910) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide
PubChem CID103908910
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide
SMILESCCC(C)(O)CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-3-12(2,17)7-15-11(16)8-4-9(13)6-10(14)5-8/h4-6,17H,3,7H2,1-2H3,(H,15,16)
InChIKeyQIHFOZFVQXLREQ-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65111325
5-bromo-N-(2-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 65111151
3,5-dibromo-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113349822
N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
CID 65109665
4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
CID 65114999
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403
N-(2-hydroxy-2-methylbutyl)-3-methyl-5-nitrobenzamide
CID 112695764
N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide
CID 106753404
3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 103907463
3,4-dichloro-N-(2-hydroxy-2-methylbutyl)-5-nitrobenzamide
CID 65107064
5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
CID 66180153

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide (CID 103908910) is 3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide is CCC(C)(O)CNC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide?
The InChIKey is QIHFOZFVQXLREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-3-12(2,17)7-15-11(16)8-4-9(13)6-10(14)5-8/h4-6,17H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide?
3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide has a molecular weight of 365.07 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide is sourced from PubChem (CID 103908910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).