3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

C12H15F2NO2 — CID 79247363

IUPAC3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO2/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)/t11-/m1/s1
InChIKeyFHQFRUWCRVKAJQ-LLVKDONJSA-N
MW243.25 g/mol
LogP1.71
Rot. Bonds4

About 3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (PubChem CID 79247363) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
PubChem CID79247363
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO2/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)/t11-/m1/s1
InChIKeyFHQFRUWCRVKAJQ-LLVKDONJSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.71
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
N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide
CID 65191559
N-(1-bromo-4-methylpentan-3-yl)-3,5-difluorobenzamide
CID 106355065
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252918
3,5-difluoro-N-(3-methylbutan-2-yl)benzamide
CID 78795162
3-fluoro-N-(1-iodo-3-methylbutan-2-yl)-5-methylbenzamide
CID 107859792
2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79253084
N-(1-bromo-3-methylbutan-2-yl)-3-fluoro-5-nitrobenzamide
CID 113276022
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-5-fluorobenzamide
CID 114177786
4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 125441906
5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide
CID 58833168

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The IUPAC name of 3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (CID 79247363) is 3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is CC(C)[C@@H](CO)NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The InChIKey is FHQFRUWCRVKAJQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15F2NO2/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)/t11-/m1/s1.
What are the key properties of 3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide has a molecular weight of 243.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 79247363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).