N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide

C13H16FNO3 — CID 104920518

IUPACN-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide
SMILESCC(C)(C)C(=O)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C13H16FNO3/c1-13(2,3)10(17)7-15-12(18)11-8(14)5-4-6-9(11)16/h4-6,16H,7H2,1-3H3,(H,15,18)
InChIKeyABFATXOZHUFZIY-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.88
Rot. Bonds3

About N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide

N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide (PubChem CID 104920518) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide
PubChem CID104920518
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide
SMILESCC(C)(C)C(=O)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C13H16FNO3/c1-13(2,3)10(17)7-15-12(18)11-8(14)5-4-6-9(11)16/h4-6,16H,7H2,1-3H3,(H,15,18)
InChIKeyABFATXOZHUFZIY-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide 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

N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxybenzamide
CID 104917526
2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 104920523
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 100615294
N-(3,3-dimethyl-2-oxobutyl)-2,3,4,5,6-pentafluorobenzamide
CID 64991463
N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide
CID 104917096
2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 104917625
2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 104916754
N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
CID 64991573
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 104920591
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide (CID 104920518) is N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide is CC(C)(C)C(=O)CNC(=O)c1c(O)cccc1F.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is ABFATXOZHUFZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-13(2,3)10(17)7-15-12(18)11-8(14)5-4-6-9(11)16/h4-6,16H,7H2,1-3H3,(H,15,18).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide?
N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 253.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 104920518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).