3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide

C12H15Br2NO2 — CID 107973108

IUPAC3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CO)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-7(2)11(6-16)15-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11,16H,6H2,1-2H3,(H,15,17)
InChIKeyUOCMEEUHMPSCFL-UHFFFAOYSA-N
MW365.07 g/mol
LogP2.96
Rot. Bonds4

About 3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide

3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide (PubChem CID 107973108) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
PubChem CID107973108
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CO)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-7(2)11(6-16)15-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11,16H,6H2,1-2H3,(H,15,17)
InChIKeyUOCMEEUHMPSCFL-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79246230
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252918
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79247363
3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide
CID 104860295
3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
CID 107980064
3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 107941583
3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-nitrobenzamide
CID 103820509
4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 79250303
3-bromo-N-(1-iodo-3-methylbutan-2-yl)-5-nitrobenzamide
CID 114010023
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-5-fluorobenzamide
CID 114177786

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide?
The IUPAC name of 3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide (CID 107973108) is 3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide is CC(C)C(CO)NC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide?
The InChIKey is UOCMEEUHMPSCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-7(2)11(6-16)15-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11,16H,6H2,1-2H3,(H,15,17).
What are the key properties of 3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide?
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide has a molecular weight of 365.07 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 107973108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).