5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide

C11H13Br2NO2 — CID 107730406

IUPAC5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide
SMILESCC(C)(CBr)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C11H13Br2NO2/c1-11(2,6-12)14-10(16)8-5-7(13)3-4-9(8)15/h3-5,15H,6H2,1-2H3,(H,14,16)
InChIKeyQPDWGJLXQXDDKG-UHFFFAOYSA-N
MW351.04 g/mol
LogP3.06
Rot. Bonds3

About 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide

5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide (PubChem CID 107730406) has the molecular formula C11H13Br2NO2 and a molecular weight of 351.04 g/mol. Its IUPAC name is 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide
PubChem CID107730406
Molecular FormulaC11H13Br2NO2
Molecular Weight351.04 g/mol
Exact Mass348.93
IUPAC Name5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide
SMILESCC(C)(CBr)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C11H13Br2NO2/c1-11(2,6-12)14-10(16)8-5-7(13)3-4-9(8)15/h3-5,15H,6H2,1-2H3,(H,14,16)
InChIKeyQPDWGJLXQXDDKG-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-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

5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide
CID 107730428
5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 113235186
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide
CID 114308107
5-bromo-N-(2-cyanobutan-2-yl)-2-hydroxybenzamide
CID 113339798
methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate
CID 112822198
N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872338
2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide
CID 114308205
N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691089
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide
CID 114308125
N-(1-bromo-2-methylpropan-2-yl)-2,4-dimethylbenzamide
CID 114307956
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
4-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxybenzamide
CID 114010991

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide (CID 107730406) is 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide is CC(C)(CBr)NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide?
The InChIKey is QPDWGJLXQXDDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2/c1-11(2,6-12)14-10(16)8-5-7(13)3-4-9(8)15/h3-5,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide?
5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide has a molecular weight of 351.04 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 107730406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).