4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide

C11H14BrNO3 — CID 107168307

IUPAC4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide
SMILESO=C(NCCCCO)c1ccc(Br)c(O)c1
InChIInChI=1S/C11H14BrNO3/c12-9-4-3-8(7-10(9)15)11(16)13-5-1-2-6-14/h3-4,7,14-15H,1-2,5-6H2,(H,13,16)
InChIKeyNMURIQVIYIJJQT-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.66
Rot. Bonds5

About 4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide

4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide (PubChem CID 107168307) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide
PubChem CID107168307
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide
SMILESO=C(NCCCCO)c1ccc(Br)c(O)c1
InChIInChI=1S/C11H14BrNO3/c12-9-4-3-8(7-10(9)15)11(16)13-5-1-2-6-14/h3-4,7,14-15H,1-2,5-6H2,(H,13,16)
InChIKeyNMURIQVIYIJJQT-UHFFFAOYSA-N
XLogP1.66
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-bromo-3-hydroxy-N-(4-hydroxybutyl)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-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
CID 103873578
4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103874700
3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide
CID 107317891
4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide
CID 103830547
4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide
CID 114007895
4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
CID 103830425
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-3-hydroxybenzamide
CID 103958299
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide
CID 86781630
3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide
CID 106842281
4-bromo-N-[2-(4-fluorophenyl)ethyl]-3-hydroxybenzamide
CID 103830357
4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103830485

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide (CID 107168307) is 4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide is O=C(NCCCCO)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide?
The InChIKey is NMURIQVIYIJJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c12-9-4-3-8(7-10(9)15)11(16)13-5-1-2-6-14/h3-4,7,14-15H,1-2,5-6H2,(H,13,16).
What are the key properties of 4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide?
4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide has a molecular weight of 288.14 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide is sourced from PubChem (CID 107168307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).