5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide

C12H16BrNO2 — CID 107729737

IUPAC5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H16BrNO2/c1-3-8(2)7-14-12(16)10-6-9(13)4-5-11(10)15/h4-6,8,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyVSRIOYUEULQEAF-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.93
Rot. Bonds4

About 5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide

5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide (PubChem CID 107729737) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
PubChem CID107729737
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H16BrNO2/c1-3-8(2)7-14-12(16)10-6-9(13)4-5-11(10)15/h4-6,8,15H,3,7H2,1-2H3,(H,14,16)
InChIKeyVSRIOYUEULQEAF-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-hydroxy-N-(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

5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111662219
5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide
CID 107730482
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829917
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide
CID 103602044
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
3-bromo-N-(2-methylbutyl)benzamide
CID 62693100
2,4-dihydroxy-N-(2-methylbutyl)benzamide
CID 107722914
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
4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
CID 62692259

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide (CID 107729737) is 5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide is CCC(C)CNC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide?
The InChIKey is VSRIOYUEULQEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-8(2)7-14-12(16)10-6-9(13)4-5-11(10)15/h4-6,8,15H,3,7H2,1-2H3,(H,14,16).
What are the key properties of 5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide?
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide has a molecular weight of 286.17 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 107729737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).