4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide

C13H17ClFNO3 — CID 110003172

IUPAC4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
SMILESCOCC(C)(CCO)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFNO3/c1-13(5-6-17,8-19-2)16-12(18)10-4-3-9(14)7-11(10)15/h3-4,7,17H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyHBYXMCLTNCEUFY-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.00
Rot. Bonds6

About 4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide

4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide (PubChem CID 110003172) has the molecular formula C13H17ClFNO3 and a molecular weight of 289.73 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
PubChem CID110003172
Molecular FormulaC13H17ClFNO3
Molecular Weight289.73 g/mol
Exact Mass289.09
IUPAC Name4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
SMILESCOCC(C)(CCO)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFNO3/c1-13(5-6-17,8-19-2)16-12(18)10-4-3-9(14)7-11(10)15/h3-4,7,17H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyHBYXMCLTNCEUFY-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002687
2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide
CID 110002765
2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002736
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002940
methyl (2S)-2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylbutanoate
CID 94810009
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 110002811
5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide
CID 110002777
4-(dimethylamino)-2-fluoro-N-[(3R)-1-hydroxy-3-methylpentan-3-yl]benzamide
CID 97340435
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-2-nitrobenzamide
CID 103945607
4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
CID 115884638
2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002324
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide
CID 110003023

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide (CID 110003172) is 4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide is COCC(C)(CCO)NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide?
The InChIKey is HBYXMCLTNCEUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3/c1-13(5-6-17,8-19-2)16-12(18)10-4-3-9(14)7-11(10)15/h3-4,7,17H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of 4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide?
4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide has a molecular weight of 289.73 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 110003172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).