2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide

C12H14FNO3 — CID 79395775

IUPAC2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
SMILESCC(C)C(=O)COc1cccc(F)c1C(N)=O
InChIInChI=1S/C12H14FNO3/c1-7(2)9(15)6-17-10-5-3-4-8(13)11(10)12(14)16/h3-5,7H,6H2,1-2H3,(H2,14,16)
InChIKeyYTWZTOLUDHIQCF-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.53
Rot. Bonds5

About 2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide

2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide (PubChem CID 79395775) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide.

Molecular Properties

Compound Name2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
PubChem CID79395775
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
SMILESCC(C)C(=O)COc1cccc(F)c1C(N)=O
InChIInChI=1S/C12H14FNO3/c1-7(2)9(15)6-17-10-5-3-4-8(13)11(10)12(14)16/h3-5,7H,6H2,1-2H3,(H2,14,16)
InChIKeyYTWZTOLUDHIQCF-UHFFFAOYSA-N
XLogP1.53
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate
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1-(2,6-difluorophenoxy)-3-methylbutan-2-one
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2-(2,2-diethoxyethoxy)-6-fluorobenzamide
CID 63630436
(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
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2-fluoro-6-(2-oxo-2-thiophen-2-ylethoxy)benzamide
CID 62034000
2-fluoro-6-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzamide
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2-fluoro-6-(3-oxobutan-2-yloxy)benzamide
CID 62032914
methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate
CID 65441606
3-methyl-1-naphthalen-1-yloxybutan-2-one
CID 79395677
2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide
CID 63571062
N-butan-2-yl-2-(2-carbamothioyl-3-fluorophenoxy)acetamide
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3-(2-carbamothioyl-3-fluorophenoxy)-2-methylpropanamide
CID 43609488

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide?
The IUPAC name of 2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide (CID 79395775) is 2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide.
What is the SMILES notation for 2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide?
The canonical SMILES for 2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide is CC(C)C(=O)COc1cccc(F)c1C(N)=O.
What is the InChIKey of 2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide?
The InChIKey is YTWZTOLUDHIQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-7(2)9(15)6-17-10-5-3-4-8(13)11(10)12(14)16/h3-5,7H,6H2,1-2H3,(H2,14,16).
What are the key properties of 2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide?
2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide has a molecular weight of 239.25 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide is sourced from PubChem (CID 79395775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).