2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide

C13H18BrNO2 — CID 113372142

IUPAC2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
SMILESCCC(C)(CO)NC(=O)c1cccc(C)c1Br
InChIInChI=1S/C13H18BrNO2/c1-4-13(3,8-16)15-12(17)10-7-5-6-9(2)11(10)14/h5-7,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyIGFBRASSWZJSJT-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.65
Rot. Bonds4

About 2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide

2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide (PubChem CID 113372142) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
PubChem CID113372142
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
SMILESCCC(C)(CO)NC(=O)c1cccc(C)c1Br
InChIInChI=1S/C13H18BrNO2/c1-4-13(3,8-16)15-12(17)10-7-5-6-9(2)11(10)14/h5-7,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyIGFBRASSWZJSJT-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(4-bromo-2-methylbutan-2-yl)-3-methylbenzamide
CID 107984046
2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide
CID 114174059
5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549076
N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 64549061
N-(1-hydroxy-2-methylbutan-2-yl)-2-nitrobenzamide
CID 64557384
4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide
CID 75519360
2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 107984063
2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide
CID 106254833
N-(1-hydroxy-2-methylbutan-2-yl)-2-(propan-2-ylamino)benzamide
CID 64549729
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dimethylbenzamide
CID 113346912
ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate
CID 103853398
2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64557392

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide (CID 113372142) is 2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide is CCC(C)(CO)NC(=O)c1cccc(C)c1Br.
What is the InChIKey of 2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide?
The InChIKey is IGFBRASSWZJSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-4-13(3,8-16)15-12(17)10-7-5-6-9(2)11(10)14/h5-7,16H,4,8H2,1-3H3,(H,15,17).
What are the key properties of 2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide?
2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide has a molecular weight of 300.20 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 113372142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).