5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide

C13H18BrNO2 — CID 113235186

IUPAC5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H18BrNO2/c1-4-13(3,5-2)15-12(17)10-8-9(14)6-7-11(10)16/h6-8,16H,4-5H2,1-3H3,(H,15,17)
InChIKeyFPQMYSWJJGDFHH-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.46
Rot. Bonds4

About 5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide

5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide (PubChem CID 113235186) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
PubChem CID113235186
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H18BrNO2/c1-4-13(3,5-2)15-12(17)10-8-9(14)6-7-11(10)16/h6-8,16H,4-5H2,1-3H3,(H,15,17)
InChIKeyFPQMYSWJJGDFHH-UHFFFAOYSA-N
XLogP3.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide
CID 107730428
5-bromo-N-(2-cyanobutan-2-yl)-2-hydroxybenzamide
CID 113339798
5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide
CID 107730406
N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872338
5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide
CID 114314430
methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate
CID 112822198
2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64556210
2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 79793336
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 106168405
5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide
CID 107730482
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide
CID 106169569

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide (CID 113235186) is 5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide is CCC(C)(CC)NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide?
The InChIKey is FPQMYSWJJGDFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-4-13(3,5-2)15-12(17)10-8-9(14)6-7-11(10)16/h6-8,16H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide?
5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide has a molecular weight of 300.20 g/mol, XLogP of 3.46, 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-(3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 113235186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).