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

C22H24ClF3N2O2 — CID 11374080

IUPACN-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESCCCCNC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C22H24ClF3N2O2/c1-2-3-12-27-21(29)28-13-17(14-28)30-20(15-8-10-16(23)11-9-15)18-6-4-5-7-19(18)22(24,25)26/h4-11,17,20H,2-3,12-14H2,1H3,(H,27,29)
InChIKeyAMPJXPAFTWUKMF-UHFFFAOYSA-N
MW440.89 g/mol
LogP5.66
Rot. Bonds7

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

N-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (PubChem CID 11374080) has the molecular formula C22H24ClF3N2O2 and a molecular weight of 440.89 g/mol. Its IUPAC name is N-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
PubChem CID11374080
Molecular FormulaC22H24ClF3N2O2
Molecular Weight440.89 g/mol
Exact Mass440.15
IUPAC NameN-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide
SMILESCCCCNC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C22H24ClF3N2O2/c1-2-3-12-27-21(29)28-13-17(14-28)30-20(15-8-10-16(23)11-9-15)18-6-4-5-7-19(18)22(24,25)26/h4-11,17,20H,2-3,12-14H2,1H3,(H,27,29)
InChIKeyAMPJXPAFTWUKMF-UHFFFAOYSA-N
XLogP5.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.89
LogP ≤ 55.66
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-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]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-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The IUPAC name of N-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide (CID 11374080) is N-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide.
What is the SMILES notation for N-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The canonical SMILES for N-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is CCCCNC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
The InChIKey is AMPJXPAFTWUKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N2O2/c1-2-3-12-27-21(29)28-13-17(14-28)30-20(15-8-10-16(23)11-9-15)18-6-4-5-7-19(18)22(24,25)26/h4-11,17,20H,2-3,12-14H2,1H3,(H,27,29).
What are the key properties of N-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide?
N-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide has a molecular weight of 440.89 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxamide is sourced from PubChem (CID 11374080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).