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

C12H15Br2NO2 — CID 113349811

IUPAC3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)C(O)CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-7(2)11(16)6-15-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11,16H,6H2,1-2H3,(H,15,17)
InChIKeyRDKMJNCYOIAQJO-UHFFFAOYSA-N
MW365.07 g/mol
LogP2.96
Rot. Bonds4

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

3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide (PubChem CID 113349811) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide
PubChem CID113349811
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)C(O)CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-7(2)11(16)6-15-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11,16H,6H2,1-2H3,(H,15,17)
InChIKeyRDKMJNCYOIAQJO-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-dibromo-N-(2-hydroxy-3-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

3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
3,5-dibromo-N-(2-hydroxypentyl)benzamide
CID 103909287
3,5-dibromo-N-(2-chlorobutyl)benzamide
CID 107975285
3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906385
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103827221
3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide
CID 103770519
3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
CID 107952489
3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 104852960
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide
CID 83032262
3-[(3-bromo-5-methylbenzoyl)amino]-2-methylpropanoic acid
CID 104850752

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide (CID 113349811) is 3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide is CC(C)C(O)CNC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide?
The InChIKey is RDKMJNCYOIAQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-7(2)11(16)6-15-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11,16H,6H2,1-2H3,(H,15,17).
What are the key properties of 3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide?
3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide has a molecular weight of 365.07 g/mol, XLogP of 2.96, 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-3-methylbutyl)benzamide is sourced from PubChem (CID 113349811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).