2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

C12H15F2NO2 — CID 79253084

IUPAC2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO2/c1-7(2)10(6-16)15-12(17)11-8(13)4-3-5-9(11)14/h3-5,7,10,16H,6H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyCMNOVZZLRINQBB-SNVBAGLBSA-N
MW243.25 g/mol
LogP1.71
Rot. Bonds4

About 2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (PubChem CID 79253084) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
PubChem CID79253084
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO2/c1-7(2)10(6-16)15-12(17)11-8(13)4-3-5-9(11)14/h3-5,7,10,16H,6H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyCMNOVZZLRINQBB-SNVBAGLBSA-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

2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252320
N-(1-chloro-3-methylbutan-2-yl)-2,6-difluorobenzamide
CID 114305446
2,3-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249315
2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254965
2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61247337
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79247363
2,6-difluoro-N-(3-oxopentan-2-yl)benzamide
CID 64991673
5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249540
[(1R)-1-[(2,6-difluorobenzoyl)amino]ethyl]-trihydroxyboranuide
CID 53301829
[(1R)-1-[(2,6-difluorobenzoyl)amino]ethyl]boronic acid
CID 53324253
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (CID 79253084) is 2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is CC(C)[C@@H](CO)NC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The InChIKey is CMNOVZZLRINQBB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-7(2)10(6-16)15-12(17)11-8(13)4-3-5-9(11)14/h3-5,7,10,16H,6H2,1-2H3,(H,15,17)/t10-/m1/s1.
What are the key properties of 2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
2,6-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 2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 79253084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).