2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide

C12H16FNO3 — CID 107015376

IUPAC2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1c(O)cccc1F)C(C)(C)CO
InChIInChI=1S/C12H16FNO3/c1-12(2,7-15)14(3)11(17)10-8(13)5-4-6-9(10)16/h4-6,15-16H,7H2,1-3H3
InChIKeyRUPWUKXZUIOKNS-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.37
Rot. Bonds3

About 2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide

2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide (PubChem CID 107015376) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
PubChem CID107015376
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1c(O)cccc1F)C(C)(C)CO
InChIInChI=1S/C12H16FNO3/c1-12(2,7-15)14(3)11(17)10-8(13)5-4-6-9(10)16/h4-6,15-16H,7H2,1-3H3
InChIKeyRUPWUKXZUIOKNS-UHFFFAOYSA-N
XLogP1.37
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide 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-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107016961
2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 104919951
3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide
CID 113475336
N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107016757
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 100615294
2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 104917662
N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107014890
N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015209
N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107017124
2-fluoro-N-(3-fluorophenyl)-6-hydroxy-N-methylbenzamide
CID 104918220
N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107013042
N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide
CID 104920518

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide (CID 107015376) is 2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide is CN(C(=O)c1c(O)cccc1F)C(C)(C)CO.
What is the InChIKey of 2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide?
The InChIKey is RUPWUKXZUIOKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-12(2,7-15)14(3)11(17)10-8(13)5-4-6-9(10)16/h4-6,15-16H,7H2,1-3H3.
What are the key properties of 2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide?
2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide has a molecular weight of 241.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 107015376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).