4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine

C22H19ClN2O — CID 126702661

IUPAC4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccccc3)CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O/c1-26-20-13-11-19(12-14-20)25-21(16-7-9-17(23)10-8-16)15-22(25)24-18-5-3-2-4-6-18/h2-14,21H,15H2,1H3/b24-22+
InChIKeySKXQYPHQTOXQOU-ZNTNEXAZSA-N
MW362.86 g/mol
LogP6.03
Rot. Bonds4

About 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine

4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine (PubChem CID 126702661) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine
PubChem CID126702661
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccccc3)CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O/c1-26-20-13-11-19(12-14-20)25-21(16-7-9-17(23)10-8-16)15-22(25)24-18-5-3-2-4-6-18/h2-14,21H,15H2,1H3/b24-22+
InChIKeySKXQYPHQTOXQOU-ZNTNEXAZSA-N
XLogP6.03
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 56.03
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
N,4-bis(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-imine
CID 126702631
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-(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 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine (CID 126702661) is 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine is COc1ccc(N2/C(=N/c3ccccc3)CC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine?
The InChIKey is SKXQYPHQTOXQOU-ZNTNEXAZSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-26-20-13-11-19(12-14-20)25-21(16-7-9-17(23)10-8-16)15-22(25)24-18-5-3-2-4-6-18/h2-14,21H,15H2,1H3/b24-22+.
What are the key properties of 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine?
4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine has a molecular weight of 362.86 g/mol, XLogP of 6.03, 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-phenylazetidin-2-imine is sourced from PubChem (CID 126702661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).