4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide

C11H14FNO3 — CID 91646563

IUPAC4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)(C)ONC(=O)c1ccc(F)cc1O
InChIInChI=1S/C11H14FNO3/c1-11(2,3)16-13-10(15)8-5-4-7(12)6-9(8)14/h4-6,14H,1-3H3,(H,13,15)
InChIKeyVGCFKQQGVZRACJ-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.99
Rot. Bonds2

About 4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide

4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 91646563) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID91646563
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)(C)ONC(=O)c1ccc(F)cc1O
InChIInChI=1S/C11H14FNO3/c1-11(2,3)16-13-10(15)8-5-4-7(12)6-9(8)14/h4-6,14H,1-3H3,(H,13,15)
InChIKeyVGCFKQQGVZRACJ-UHFFFAOYSA-N
XLogP1.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]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-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82723944
3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbamoyl]benzoic acid
CID 89159084
methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 107015165
N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 113304540
2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724689
N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide
CID 105343049
4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 103830101
bis(4-fluoro-2-hydroxyphenyl)methanone
CID 125469613
4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 103830009
N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829628
4-fluoro-2-hydroxy-N-(2-methoxypropyl)benzamide
CID 102737733
4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 113304588

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide (CID 91646563) is 4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide is CC(C)(C)ONC(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is VGCFKQQGVZRACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-11(2,3)16-13-10(15)8-5-4-7(12)6-9(8)14/h4-6,14H,1-3H3,(H,13,15).
What are the key properties of 4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide?
4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 227.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 91646563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).