4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine

C23H18ClF3N2O — CID 126673173

IUPAC4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccc(C(F)(F)F)cc3)CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClF3N2O/c1-30-20-12-10-19(11-13-20)29-21(15-2-6-17(24)7-3-15)14-22(29)28-18-8-4-16(5-9-18)23(25,26)27/h2-13,21H,14H2,1H3/b28-22+
InChIKeyQFUOSILXXOCVEB-XAYXJRQQSA-N
MW430.86 g/mol
LogP7.05
Rot. Bonds4

About 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine

4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine (PubChem CID 126673173) has the molecular formula C23H18ClF3N2O and a molecular weight of 430.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine
PubChem CID126673173
Molecular FormulaC23H18ClF3N2O
Molecular Weight430.86 g/mol
Exact Mass430.11
IUPAC Name4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccc(C(F)(F)F)cc3)CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClF3N2O/c1-30-20-12-10-19(11-13-20)29-21(15-2-6-17(24)7-3-15)14-22(29)28-18-8-4-16(5-9-18)23(25,26)27/h2-13,21H,14H2,1H3/b28-22+
InChIKeyQFUOSILXXOCVEB-XAYXJRQQSA-N
XLogP7.05
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.86
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine (CID 126673173) is 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine is COc1ccc(N2/C(=N/c3ccc(C(F)(F)F)cc3)CC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine?
The InChIKey is QFUOSILXXOCVEB-XAYXJRQQSA-N. The full InChI is InChI=1S/C23H18ClF3N2O/c1-30-20-12-10-19(11-13-20)29-21(15-2-6-17(24)7-3-15)14-22(29)28-18-8-4-16(5-9-18)23(25,26)27/h2-13,21H,14H2,1H3/b28-22+.
What are the key properties of 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine?
4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine has a molecular weight of 430.86 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine is sourced from PubChem (CID 126673173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).