N-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide

C26H24ClF3N2O2 — CID 11202628

IUPACN-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C26H24ClF3N2O2/c1-31(15-18-7-3-2-4-8-18)25(33)32-16-21(17-32)34-24(19-11-13-20(27)14-12-19)22-9-5-6-10-23(22)26(28,29)30/h2-14,21,24H,15-17H2,1H3
InChIKeyTWGHBTQFUPXTIE-UHFFFAOYSA-N
MW488.94 g/mol
LogP6.40
Rot. Bonds6

About N-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide

N-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide (PubChem CID 11202628) has the molecular formula C26H24ClF3N2O2 and a molecular weight of 488.94 g/mol. Its IUPAC name is N-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide
PubChem CID11202628
Molecular FormulaC26H24ClF3N2O2
Molecular Weight488.94 g/mol
Exact Mass488.15
IUPAC NameN-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C26H24ClF3N2O2/c1-31(15-18-7-3-2-4-8-18)25(33)32-16-21(17-32)34-24(19-11-13-20(27)14-12-19)22-9-5-6-10-23(22)26(28,29)30/h2-14,21,24H,15-17H2,1H3
InChIKeyTWGHBTQFUPXTIE-UHFFFAOYSA-N
XLogP6.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.94
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide 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

4Rnu8C6xxw
CID 68902536
[3-[(2-Chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
CID 11441515
3-[2-(trifluoromethyl)-4'-fluorobenzhydryloxy]-N-[(S)-alpha-methyl-benzyl]azetidine-1-carboxamide
CID 11167356
3-[2-(trifluoromethyl)-4'-chlorobenzhydryloxy]-N-(2,4-difluorophenyl)azetidine-1-carboxamide
CID 11191184
3-[2-(trifluoromethyl)-4-fluoro-4'-chlorobenzhydryloxy]-N-(cyclohexyl)azetidine-1-carboxamide
CID 11202553
3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide
CID 11214137
3-[2-(trifluoromethyl)-4-fluoro-4'-chlorobenzhydryloxy]-N-(tert-butyl)azetidine-1-carboxamide
CID 11259675
3-[2-(trifluoromethyl)-4'-chlorobenzhydryloxy]-N-(allyl)azetidine-1-carboxamide
CID 11281714
3-[(4-chlorophenyl)-[4-fluoro-2-(trifluoromethyl)phenyl]methoxy]-N-propan-2-ylazetidine-1-carboxamide
CID 11282226
3-[2-(trifluoromethyl)-4-fluoro-4'-chlorobenzhydryloxy]-N-(benzyl)azetidine-1-carboxamide
CID 11294830
3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-ethylazetidine-1-carboxamide
CID 11304500
3-[2-(trifluoromethyl)-4'-chlorobenzhydryloxy]-N-[(S)-alpha-methyl-benzyl]azetidine-1-carboxamide
CID 11306353

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide?
The IUPAC name of N-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide (CID 11202628) is N-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide is CN(Cc1ccccc1)C(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide?
The InChIKey is TWGHBTQFUPXTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF3N2O2/c1-31(15-18-7-3-2-4-8-18)25(33)32-16-21(17-32)34-24(19-11-13-20(27)14-12-19)22-9-5-6-10-23(22)26(28,29)30/h2-14,21,24H,15-17H2,1H3.
What are the key properties of N-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide?
N-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide has a molecular weight of 488.94 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 11202628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).