2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide

C13H17BrINO3 — CID 113364210

IUPAC2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide
SMILESCOCCC(C)(O)CNC(=O)c1cc(I)ccc1Br
InChIInChI=1S/C13H17BrINO3/c1-13(18,5-6-19-2)8-16-12(17)10-7-9(15)3-4-11(10)14/h3-4,7,18H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyLDFCGLFASYKJLZ-UHFFFAOYSA-N
MW442.09 g/mol
LogP2.57
Rot. Bonds6

About 2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide

2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide (PubChem CID 113364210) has the molecular formula C13H17BrINO3 and a molecular weight of 442.09 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide
PubChem CID113364210
Molecular FormulaC13H17BrINO3
Molecular Weight442.09 g/mol
Exact Mass440.94
IUPAC Name2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide
SMILESCOCCC(C)(O)CNC(=O)c1cc(I)ccc1Br
InChIInChI=1S/C13H17BrINO3/c1-13(18,5-6-19-2)8-16-12(17)10-7-9(15)3-4-11(10)14/h3-4,7,18H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyLDFCGLFASYKJLZ-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.09
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide 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

N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide
CID 103712714
2-bromo-5-chloro-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 104625413
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249207
N-(2-amino-2-ethylbutyl)-2-bromo-5-iodobenzamide
CID 114026196
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide
CID 103712693
3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide
CID 103712520
2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528337
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
CID 103712743
3,4-dihydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103957337
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide
CID 66169373
4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103873644
2-ethoxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712220

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide?
The IUPAC name of 2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide (CID 113364210) is 2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide?
The canonical SMILES for 2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide is COCCC(C)(O)CNC(=O)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide?
The InChIKey is LDFCGLFASYKJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrINO3/c1-13(18,5-6-19-2)8-16-12(17)10-7-9(15)3-4-11(10)14/h3-4,7,18H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide?
2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide has a molecular weight of 442.09 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide is sourced from PubChem (CID 113364210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).