5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide

C11H14BrNO4 — CID 103602044

IUPAC5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide
SMILESCOC(CNC(=O)c1cc(Br)ccc1O)OC
InChIInChI=1S/C11H14BrNO4/c1-16-10(17-2)6-13-11(15)8-5-7(12)3-4-9(8)14/h3-5,10,14H,6H2,1-2H3,(H,13,15)
InChIKeyFYDBZGZKKDHDAH-UHFFFAOYSA-N
MW304.14 g/mol
LogP1.50
Rot. Bonds5

About 5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide

5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide (PubChem CID 103602044) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide
PubChem CID103602044
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide
SMILESCOC(CNC(=O)c1cc(Br)ccc1O)OC
InChIInChI=1S/C11H14BrNO4/c1-16-10(17-2)6-13-11(15)8-5-7(12)3-4-9(8)14/h3-5,10,14H,6H2,1-2H3,(H,13,15)
InChIKeyFYDBZGZKKDHDAH-UHFFFAOYSA-N
XLogP1.50
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide 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-(2,2-dimethoxyethyl)-2-fluorobenzamide
CID 61247809
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829917
5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide
CID 107730482
5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111662219
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996
5-bromo-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103877758
5-bromo-N-but-2-ynyl-2-hydroxybenzamide
CID 103871171
2,5-dihydroxy-N-(2-methoxypropyl)benzamide
CID 107723939
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107729441
5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102698343
5-bromo-2-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 27164512

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide (CID 103602044) is 5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide is COC(CNC(=O)c1cc(Br)ccc1O)OC.
What is the InChIKey of 5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide?
The InChIKey is FYDBZGZKKDHDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-16-10(17-2)6-13-11(15)8-5-7(12)3-4-9(8)14/h3-5,10,14H,6H2,1-2H3,(H,13,15).
What are the key properties of 5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide?
5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide has a molecular weight of 304.14 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide is sourced from PubChem (CID 103602044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).