4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)azetidin-2-imine

C23H21ClN2O2 — CID 134963042

IUPAC4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)azetidin-2-imine
SMILESCOc1ccc(/N=C2\CC(c3ccc(Cl)cc3)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H21ClN2O2/c1-27-20-11-7-18(8-12-20)25-23-15-22(16-3-5-17(24)6-4-16)26(23)19-9-13-21(28-2)14-10-19/h3-14,22H,15H2,1-2H3/b25-23+
InChIKeyXOYDBIUHRUTSDO-WJTDDFOZSA-N
MW392.89 g/mol
LogP6.04
Rot. Bonds5

About 4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)azetidin-2-imine

4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)azetidin-2-imine (PubChem CID 134963042) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)azetidin-2-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)azetidin-2-imine
PubChem CID134963042
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)azetidin-2-imine
SMILESCOc1ccc(/N=C2\CC(c3ccc(Cl)cc3)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H21ClN2O2/c1-27-20-11-7-18(8-12-20)25-23-15-22(16-3-5-17(24)6-4-16)26(23)19-9-13-21(28-2)14-10-19/h3-14,22H,15H2,1-2H3/b25-23+
InChIKeyXOYDBIUHRUTSDO-WJTDDFOZSA-N
XLogP6.04
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-N,1-bis(4-methoxyphenyl)azetidin-2-imine?
The IUPAC name of 4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)azetidin-2-imine (CID 134963042) is 4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)azetidin-2-imine.
What is the SMILES notation for 4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)azetidin-2-imine?
The canonical SMILES for 4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)azetidin-2-imine is COc1ccc(/N=C2\CC(c3ccc(Cl)cc3)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)azetidin-2-imine?
The InChIKey is XOYDBIUHRUTSDO-WJTDDFOZSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-27-20-11-7-18(8-12-20)25-23-15-22(16-3-5-17(24)6-4-16)26(23)19-9-13-21(28-2)14-10-19/h3-14,22H,15H2,1-2H3/b25-23+.
What are the key properties of 4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)azetidin-2-imine?
4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)azetidin-2-imine has a molecular weight of 392.89 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)azetidin-2-imine is sourced from PubChem (CID 134963042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).