N-(2-hydroxy-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]benzamide

C23H20F3NO2 — CID 10023852

IUPACN-(2-hydroxy-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]benzamide
SMILESCN(CC(O)c1ccccc1)C(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C23H20F3NO2/c1-27(15-21(28)17-7-3-2-4-8-17)22(29)18-13-11-16(12-14-18)19-9-5-6-10-20(19)23(24,25)26/h2-14,21,28H,15H2,1H3
InChIKeyRJFKZMSTHYTTLL-UHFFFAOYSA-N
MW399.41 g/mol
LogP5.18
Rot. Bonds5

About N-(2-hydroxy-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]benzamide

N-(2-hydroxy-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 10023852) has the molecular formula C23H20F3NO2 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID10023852
Molecular FormulaC23H20F3NO2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC NameN-(2-hydroxy-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]benzamide
SMILESCN(CC(O)c1ccccc1)C(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C23H20F3NO2/c1-27(15-21(28)17-7-3-2-4-8-17)22(29)18-13-11-16(12-14-18)19-9-5-6-10-20(19)23(24,25)26/h2-14,21,28H,15H2,1H3
InChIKeyRJFKZMSTHYTTLL-UHFFFAOYSA-N
XLogP5.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.41
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-hydroxy-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]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-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]benzamide (CID 10023852) is N-(2-hydroxy-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]benzamide is CN(CC(O)c1ccccc1)C(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RJFKZMSTHYTTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO2/c1-27(15-21(28)17-7-3-2-4-8-17)22(29)18-13-11-16(12-14-18)19-9-5-6-10-20(19)23(24,25)26/h2-14,21,28H,15H2,1H3.
What are the key properties of N-(2-hydroxy-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]benzamide?
N-(2-hydroxy-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 399.41 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-N-methyl-4-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 10023852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).