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

C12H15Br2NO2 — CID 107730428

IUPAC5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide
SMILESCCC(C)(CBr)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H15Br2NO2/c1-3-12(2,7-13)15-11(17)9-6-8(14)4-5-10(9)16/h4-6,16H,3,7H2,1-2H3,(H,15,17)
InChIKeyMNCOWRICHDBQAC-UHFFFAOYSA-N
MW365.07 g/mol
LogP3.45
Rot. Bonds4

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

5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide (PubChem CID 107730428) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide
PubChem CID107730428
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide
SMILESCCC(C)(CBr)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H15Br2NO2/c1-3-12(2,7-13)15-11(17)9-6-8(14)4-5-10(9)16/h4-6,16H,3,7H2,1-2H3,(H,15,17)
InChIKeyMNCOWRICHDBQAC-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 113235186
5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide
CID 114314430
5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide
CID 107730406
5-bromo-N-(2-cyanobutan-2-yl)-2-hydroxybenzamide
CID 113339798
N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872338
methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate
CID 112822198
2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64556210
4-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxybenzamide
CID 114010991
2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 79793336
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide
CID 106169569
N-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide
CID 107729059
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide (CID 107730428) is 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide is CCC(C)(CBr)NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide?
The InChIKey is MNCOWRICHDBQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-3-12(2,7-13)15-11(17)9-6-8(14)4-5-10(9)16/h4-6,16H,3,7H2,1-2H3,(H,15,17).
What are the key properties of 5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide?
5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide has a molecular weight of 365.07 g/mol, XLogP of 3.45, 4 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-methylbutan-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 107730428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).