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

C20H20ClF3N2O2 — CID 11304500

IUPAC3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-ethylazetidine-1-carboxamide
SMILESCCNC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C20H20ClF3N2O2/c1-2-25-19(27)26-11-15(12-26)28-18(13-7-9-14(21)10-8-13)16-5-3-4-6-17(16)20(22,23)24/h3-10,15,18H,2,11-12H2,1H3,(H,25,27)
InChIKeyAOWUZRSEDDBIEQ-UHFFFAOYSA-N
MW412.84 g/mol
LogP4.88
Rot. Bonds5

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

3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-ethylazetidine-1-carboxamide (PubChem CID 11304500) has the molecular formula C20H20ClF3N2O2 and a molecular weight of 412.84 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-ethylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-ethylazetidine-1-carboxamide
PubChem CID11304500
Molecular FormulaC20H20ClF3N2O2
Molecular Weight412.84 g/mol
Exact Mass412.12
IUPAC Name3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-ethylazetidine-1-carboxamide
SMILESCCNC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C20H20ClF3N2O2/c1-2-25-19(27)26-11-15(12-26)28-18(13-7-9-14(21)10-8-13)16-5-3-4-6-17(16)20(22,23)24/h3-10,15,18H,2,11-12H2,1H3,(H,25,27)
InChIKeyAOWUZRSEDDBIEQ-UHFFFAOYSA-N
XLogP4.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-ethylazetidine-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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-ethylazetidine-1-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-ethylazetidine-1-carboxamide (CID 11304500) is 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-ethylazetidine-1-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-ethylazetidine-1-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-ethylazetidine-1-carboxamide is CCNC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-ethylazetidine-1-carboxamide?
The InChIKey is AOWUZRSEDDBIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O2/c1-2-25-19(27)26-11-15(12-26)28-18(13-7-9-14(21)10-8-13)16-5-3-4-6-17(16)20(22,23)24/h3-10,15,18H,2,11-12H2,1H3,(H,25,27).
What are the key properties of 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-ethylazetidine-1-carboxamide?
3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-ethylazetidine-1-carboxamide has a molecular weight of 412.84 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-N-ethylazetidine-1-carboxamide is sourced from PubChem (CID 11304500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).