N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine

C26H21ClN2O — CID 126702777

IUPACN-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccc(Cl)cc3)CC2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H21ClN2O/c1-30-24-14-12-23(13-15-24)29-25(17-26(29)28-22-10-8-21(27)9-11-22)20-7-6-18-4-2-3-5-19(18)16-20/h2-16,25H,17H2,1H3/b28-26+
InChIKeyKWJJZJUOAOBSSZ-BYCLXTJYSA-N
MW412.92 g/mol
LogP7.18
Rot. Bonds4

About N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine

N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine (PubChem CID 126702777) has the molecular formula C26H21ClN2O and a molecular weight of 412.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine
PubChem CID126702777
Molecular FormulaC26H21ClN2O
Molecular Weight412.92 g/mol
Exact Mass412.13
IUPAC NameN-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccc(Cl)cc3)CC2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H21ClN2O/c1-30-24-14-12-23(13-15-24)29-25(17-26(29)28-22-10-8-21(27)9-11-22)20-7-6-18-4-2-3-5-19(18)16-20/h2-16,25H,17H2,1H3/b28-26+
InChIKeyKWJJZJUOAOBSSZ-BYCLXTJYSA-N
XLogP7.18
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.92
LogP ≤ 57.18
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 N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine?
The IUPAC name of N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine (CID 126702777) is N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine?
The canonical SMILES for N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine is COc1ccc(N2/C(=N/c3ccc(Cl)cc3)CC2c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine?
The InChIKey is KWJJZJUOAOBSSZ-BYCLXTJYSA-N. The full InChI is InChI=1S/C26H21ClN2O/c1-30-24-14-12-23(13-15-24)29-25(17-26(29)28-22-10-8-21(27)9-11-22)20-7-6-18-4-2-3-5-19(18)16-20/h2-16,25H,17H2,1H3/b28-26+.
What are the key properties of N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine?
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine has a molecular weight of 412.92 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine is sourced from PubChem (CID 126702777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).