5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide

C13H18BrNO3 — CID 111662219

IUPAC5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide
SMILESCC(O)CC(C)CNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H18BrNO3/c1-8(5-9(2)16)7-15-13(18)11-6-10(14)3-4-12(11)17/h3-4,6,8-9,16-17H,5,7H2,1-2H3,(H,15,18)
InChIKeyBPOQNEXEVQXPGR-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.29
Rot. Bonds5

About 5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide

5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide (PubChem CID 111662219) has the molecular formula C13H18BrNO3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide
PubChem CID111662219
Molecular FormulaC13H18BrNO3
Molecular Weight316.20 g/mol
Exact Mass315.05
IUPAC Name5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide
SMILESCC(O)CC(C)CNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H18BrNO3/c1-8(5-9(2)16)7-15-13(18)11-6-10(14)3-4-12(11)17/h3-4,6,8-9,16-17H,5,7H2,1-2H3,(H,15,18)
InChIKeyBPOQNEXEVQXPGR-UHFFFAOYSA-N
XLogP2.29
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)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

5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
4-bromo-N-(4-hydroxy-2-methylpentyl)-2-nitrobenzamide
CID 111859448
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829917
5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide
CID 103602044
5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide
CID 107730482
5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
CID 83058588
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107729441
N-(3-bromo-2-methylpropyl)-2-hydroxy-5-methylbenzamide
CID 114313317
3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium
CID 7188682
5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 103719384
5-bromo-N-but-2-ynyl-2-hydroxybenzamide
CID 103871171

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide (CID 111662219) is 5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide is CC(O)CC(C)CNC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide?
The InChIKey is BPOQNEXEVQXPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-8(5-9(2)16)7-15-13(18)11-6-10(14)3-4-12(11)17/h3-4,6,8-9,16-17H,5,7H2,1-2H3,(H,15,18).
What are the key properties of 5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide?
5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide has a molecular weight of 316.20 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide is sourced from PubChem (CID 111662219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).