N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide

C13H16F3NO3 — CID 56724214

IUPACN-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide
SMILESCOCC(C)(O)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO3/c1-12(19,8-20-2)7-17-11(18)9-5-3-4-6-10(9)13(14,15)16/h3-6,19H,7-8H2,1-2H3,(H,17,18)
InChIKeyHUHHMYJLODBKGL-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.83
Rot. Bonds5

About N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide

N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide (PubChem CID 56724214) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide
PubChem CID56724214
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC NameN-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide
SMILESCOCC(C)(O)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO3/c1-12(19,8-20-2)7-17-11(18)9-5-3-4-6-10(9)13(14,15)16/h3-6,19H,7-8H2,1-2H3,(H,17,18)
InChIKeyHUHHMYJLODBKGL-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide (CID 56724214) is N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide is COCC(C)(O)CNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide?
The InChIKey is HUHHMYJLODBKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-12(19,8-20-2)7-17-11(18)9-5-3-4-6-10(9)13(14,15)16/h3-6,19H,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide?
N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide has a molecular weight of 291.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 56724214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).