N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide

C11H11FN2O2 — CID 104917326

IUPACN-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide
SMILESCC(CC#N)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H11FN2O2/c1-7(5-6-13)14-11(16)10-8(12)3-2-4-9(10)15/h2-4,7,15H,5H2,1H3,(H,14,16)
InChIKeyPIYLMUCMCLYRDE-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.56
Rot. Bonds3

About N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide

N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide (PubChem CID 104917326) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide
PubChem CID104917326
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC NameN-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide
SMILESCC(CC#N)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H11FN2O2/c1-7(5-6-13)14-11(16)10-8(12)3-2-4-9(10)15/h2-4,7,15H,5H2,1H3,(H,14,16)
InChIKeyPIYLMUCMCLYRDE-UHFFFAOYSA-N
XLogP1.56
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanopropan-2-yl)-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

2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide
CID 115678854
N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107015862
N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016869
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107017120
2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 104916779
2-fluoro-6-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107015409
2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 104920523
N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104919730
5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
CID 62090270
2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide
CID 75424748
2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
CID 78789460

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide (CID 104917326) is N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide is CC(CC#N)NC(=O)c1c(O)cccc1F.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is PIYLMUCMCLYRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-7(5-6-13)14-11(16)10-8(12)3-2-4-9(10)15/h2-4,7,15H,5H2,1H3,(H,14,16).
What are the key properties of N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide?
N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 222.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 104917326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).