2-fluoro-6-(3-oxobutan-2-yloxy)benzamide

C11H12FNO3 — CID 62032914

IUPAC2-fluoro-6-(3-oxobutan-2-yloxy)benzamide
SMILESCC(=O)C(C)Oc1cccc(F)c1C(N)=O
InChIInChI=1S/C11H12FNO3/c1-6(14)7(2)16-9-5-3-4-8(12)10(9)11(13)15/h3-5,7H,1-2H3,(H2,13,15)
InChIKeyCPNHOINDNZFMQG-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.28
Rot. Bonds4

About 2-fluoro-6-(3-oxobutan-2-yloxy)benzamide

2-fluoro-6-(3-oxobutan-2-yloxy)benzamide (PubChem CID 62032914) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-fluoro-6-(3-oxobutan-2-yloxy)benzamide.

Molecular Properties

Compound Name2-fluoro-6-(3-oxobutan-2-yloxy)benzamide
PubChem CID62032914
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name2-fluoro-6-(3-oxobutan-2-yloxy)benzamide
SMILESCC(=O)C(C)Oc1cccc(F)c1C(N)=O
InChIInChI=1S/C11H12FNO3/c1-6(14)7(2)16-9-5-3-4-8(12)10(9)11(13)15/h3-5,7H,1-2H3,(H2,13,15)
InChIKeyCPNHOINDNZFMQG-UHFFFAOYSA-N
XLogP1.28
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-6-(3-oxobutan-2-yloxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide
CID 63571062
(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
CID 103547951
2-(2-carbamothioyl-3-fluorophenoxy)propanamide
CID 43609505
2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
CID 79395775
2-(2-carbamothioyl-3-fluorophenoxy)-N,N-dimethylpropanamide
CID 43609423
2-[(1S)-1-(4-cyanophenyl)ethoxy]-6-fluorobenzamide
CID 99842144
2-(2,3-difluorophenoxy)propanamide
CID 63038540
2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide
CID 83047514
methyl 2-acetamido-3-(2-carbamoyl-3-fluorophenoxy)propanoate
CID 65441606
methyl 3-(2-carbamoyl-3-fluorophenoxy)-2-methylpropanoate
CID 43609465
CID 161042703
CID 161042703
2-(2,2-diethoxyethoxy)-6-fluorobenzamide
CID 63630436

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-oxobutan-2-yloxy)benzamide?
The IUPAC name of 2-fluoro-6-(3-oxobutan-2-yloxy)benzamide (CID 62032914) is 2-fluoro-6-(3-oxobutan-2-yloxy)benzamide.
What is the SMILES notation for 2-fluoro-6-(3-oxobutan-2-yloxy)benzamide?
The canonical SMILES for 2-fluoro-6-(3-oxobutan-2-yloxy)benzamide is CC(=O)C(C)Oc1cccc(F)c1C(N)=O.
What is the InChIKey of 2-fluoro-6-(3-oxobutan-2-yloxy)benzamide?
The InChIKey is CPNHOINDNZFMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-6(14)7(2)16-9-5-3-4-8(12)10(9)11(13)15/h3-5,7H,1-2H3,(H2,13,15).
What are the key properties of 2-fluoro-6-(3-oxobutan-2-yloxy)benzamide?
2-fluoro-6-(3-oxobutan-2-yloxy)benzamide has a molecular weight of 225.22 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-oxobutan-2-yloxy)benzamide is sourced from PubChem (CID 62032914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).