2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide

C12H15ClFNO2 — CID 79252320

IUPAC2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CO)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO2/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)
InChIKeyHYNTXIVEGSUJGL-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.23
Rot. Bonds4

About 2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide

2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide (PubChem CID 79252320) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
PubChem CID79252320
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CO)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO2/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)
InChIKeyHYNTXIVEGSUJGL-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79253084
2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254965
2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920045
2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
N-(1-chloro-3-methylbutan-2-yl)-2,6-difluorobenzamide
CID 114305446
2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103782454
2,3-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249315
N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanoic acid
CID 42255188
5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249540
ethyl (2S,3R)-3-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoate
CID 124854483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide (CID 79252320) is 2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide is CC(C)C(CO)NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide?
The InChIKey is HYNTXIVEGSUJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/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).
What are the key properties of 2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide?
2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide has a molecular weight of 259.71 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 79252320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).