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

C22H18Cl2N2O — CID 126702631

IUPACN,4-bis(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccc(Cl)cc3)CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18Cl2N2O/c1-27-20-12-10-19(11-13-20)26-21(15-2-4-16(23)5-3-15)14-22(26)25-18-8-6-17(24)7-9-18/h2-13,21H,14H2,1H3/b25-22+
InChIKeyPGTBZRBDSRALFK-YYDJUVGSSA-N
MW397.31 g/mol
LogP6.68
Rot. Bonds4

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

N,4-bis(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-imine (PubChem CID 126702631) has the molecular formula C22H18Cl2N2O and a molecular weight of 397.31 g/mol. Its IUPAC name is N,4-bis(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-imine.

Molecular Properties

Compound NameN,4-bis(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-imine
PubChem CID126702631
Molecular FormulaC22H18Cl2N2O
Molecular Weight397.31 g/mol
Exact Mass396.08
IUPAC NameN,4-bis(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccc(Cl)cc3)CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18Cl2N2O/c1-27-20-12-10-19(11-13-20)26-21(15-2-4-16(23)5-3-15)14-22(26)25-18-8-6-17(24)7-9-18/h2-13,21H,14H2,1H3/b25-22+
InChIKeyPGTBZRBDSRALFK-YYDJUVGSSA-N
XLogP6.68
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.31
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]azetidin-2-imine
CID 126673173
N,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine
CID 126673384
4-(4-chlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine
CID 126702619
1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 126702625
1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 126702629
4-(3,5-dichlorophenyl)-N-(4-iodophenyl)-1-(4-methoxyphenyl)azetidin-2-imine
CID 126702633
1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 126702637
4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine
CID 126702661
4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine
CID 126702692
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine
CID 126702777
N-(4-bromophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-imine
CID 126702779
4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine
CID 126702783

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-imine?
The IUPAC name of N,4-bis(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-imine (CID 126702631) is N,4-bis(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-imine.
What is the SMILES notation for N,4-bis(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-imine?
The canonical SMILES for N,4-bis(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-imine is COc1ccc(N2/C(=N/c3ccc(Cl)cc3)CC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of N,4-bis(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-imine?
The InChIKey is PGTBZRBDSRALFK-YYDJUVGSSA-N. The full InChI is InChI=1S/C22H18Cl2N2O/c1-27-20-12-10-19(11-13-20)26-21(15-2-4-16(23)5-3-15)14-22(26)25-18-8-6-17(24)7-9-18/h2-13,21H,14H2,1H3/b25-22+.
What are the key properties of N,4-bis(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-imine?
N,4-bis(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-imine has a molecular weight of 397.31 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-imine is sourced from PubChem (CID 126702631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).