4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine

C22H18Cl2N2O — CID 126702692

IUPAC4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccccc3)CC2c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C22H18Cl2N2O/c1-27-20-9-7-19(8-10-20)26-21(15-11-16(23)13-17(24)12-15)14-22(26)25-18-5-3-2-4-6-18/h2-13,21H,14H2,1H3/b25-22+
InChIKeyDFIGYFKCQSWISB-YYDJUVGSSA-N
MW397.31 g/mol
LogP6.68
Rot. Bonds4

About 4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine

4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine (PubChem CID 126702692) has the molecular formula C22H18Cl2N2O and a molecular weight of 397.31 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine
PubChem CID126702692
Molecular FormulaC22H18Cl2N2O
Molecular Weight397.31 g/mol
Exact Mass396.08
IUPAC Name4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccccc3)CC2c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C22H18Cl2N2O/c1-27-20-9-7-19(8-10-20)26-21(15-11-16(23)13-17(24)12-15)14-22(26)25-18-5-3-2-4-6-18/h2-13,21H,14H2,1H3/b25-22+
InChIKeyDFIGYFKCQSWISB-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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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine?
The IUPAC name of 4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine (CID 126702692) is 4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine?
The canonical SMILES for 4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine is COc1ccc(N2/C(=N/c3ccccc3)CC2c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine?
The InChIKey is DFIGYFKCQSWISB-YYDJUVGSSA-N. The full InChI is InChI=1S/C22H18Cl2N2O/c1-27-20-9-7-19(8-10-20)26-21(15-11-16(23)13-17(24)12-15)14-22(26)25-18-5-3-2-4-6-18/h2-13,21H,14H2,1H3/b25-22+.
What are the key properties of 4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine?
4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-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 4-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine is sourced from PubChem (CID 126702692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).