2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide

C13H17ClFNO2 — CID 113343226

IUPAC2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
SMILESCC(C)(CCO)NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNO2/c1-13(2,6-7-17)16-12(18)8-9-10(14)4-3-5-11(9)15/h3-5,17H,6-8H2,1-2H3,(H,16,18)
InChIKeySUXCXFPJEKRVTL-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.30
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide (PubChem CID 113343226) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
PubChem CID113343226
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
SMILESCC(C)(CCO)NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNO2/c1-13(2,6-7-17)16-12(18)8-9-10(14)4-3-5-11(9)15/h3-5,17H,6-8H2,1-2H3,(H,16,18)
InChIKeySUXCXFPJEKRVTL-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 97161034
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
N-(1-amino-2-methylpropan-2-yl)-2-(2,6-dichlorophenyl)acetamide
CID 119524754
N-(3-carbamothioylpentan-3-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 61121564
N'-acetyl-2-(2-chloro-6-fluorophenyl)acetohydrazide
CID 30905798
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467796
methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate
CID 23374248
N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide;carbonic acid
CID 22076120
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide
CID 99873881
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid
CID 2780091

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide (CID 113343226) is 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide is CC(C)(CCO)NC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide?
The InChIKey is SUXCXFPJEKRVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-13(2,6-7-17)16-12(18)8-9-10(14)4-3-5-11(9)15/h3-5,17H,6-8H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide has a molecular weight of 273.73 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 113343226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).