N-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide

C23H26ClF3N2O2 — CID 170655911

IUPACN-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide
SMILESCCCCNC(=O)N1CC(OC(Cc2ccccc2C(F)(F)F)c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26ClF3N2O2/c1-2-3-12-28-22(30)29-14-19(15-29)31-21(16-8-10-18(24)11-9-16)13-17-6-4-5-7-20(17)23(25,26)27/h4-11,19,21H,2-3,12-15H2,1H3,(H,28,30)
InChIKeyGGFZIWFVDDFFLG-UHFFFAOYSA-N
MW454.92 g/mol
LogP5.85
Rot. Bonds8

About N-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide

N-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide (PubChem CID 170655911) has the molecular formula C23H26ClF3N2O2 and a molecular weight of 454.92 g/mol. Its IUPAC name is N-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide
PubChem CID170655911
Molecular FormulaC23H26ClF3N2O2
Molecular Weight454.92 g/mol
Exact Mass454.16
IUPAC NameN-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide
SMILESCCCCNC(=O)N1CC(OC(Cc2ccccc2C(F)(F)F)c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26ClF3N2O2/c1-2-3-12-28-22(30)29-14-19(15-29)31-21(16-8-10-18(24)11-9-16)13-17-6-4-5-7-20(17)23(25,26)27/h4-11,19,21H,2-3,12-15H2,1H3,(H,28,30)
InChIKeyGGFZIWFVDDFFLG-UHFFFAOYSA-N
XLogP5.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.92
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-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 N-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide?
The IUPAC name of N-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide (CID 170655911) is N-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide.
What is the SMILES notation for N-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide?
The canonical SMILES for N-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide is CCCCNC(=O)N1CC(OC(Cc2ccccc2C(F)(F)F)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide?
The InChIKey is GGFZIWFVDDFFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N2O2/c1-2-3-12-28-22(30)29-14-19(15-29)31-21(16-8-10-18(24)11-9-16)13-17-6-4-5-7-20(17)23(25,26)27/h4-11,19,21H,2-3,12-15H2,1H3,(H,28,30).
What are the key properties of N-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide?
N-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide has a molecular weight of 454.92 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[1-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]ethoxy]azetidine-1-carboxamide is sourced from PubChem (CID 170655911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).