4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine

C22H19ClN2 — CID 159025355

IUPAC4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine
SMILESCc1cccc(N2/C(=N/c3ccccc3)CC2c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H19ClN2/c1-16-6-5-9-20(14-16)25-21(17-10-12-18(23)13-11-17)15-22(25)24-19-7-3-2-4-8-19/h2-14,21H,15H2,1H3/b24-22+
InChIKeyMPMCCROGIWDSHV-ZNTNEXAZSA-N
MW346.86 g/mol
LogP6.33
Rot. Bonds3

About 4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine

4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine (PubChem CID 159025355) has the molecular formula C22H19ClN2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine
PubChem CID159025355
Molecular FormulaC22H19ClN2
Molecular Weight346.86 g/mol
Exact Mass346.12
IUPAC Name4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine
SMILESCc1cccc(N2/C(=N/c3ccccc3)CC2c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H19ClN2/c1-16-6-5-9-20(14-16)25-21(17-10-12-18(23)13-11-17)15-22(25)24-19-7-3-2-4-8-19/h2-14,21H,15H2,1H3/b24-22+
InChIKeyMPMCCROGIWDSHV-ZNTNEXAZSA-N
XLogP6.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.86
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-1-(3-methylphenyl)-N-phenylazetidin-2-imine?
The IUPAC name of 4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine (CID 159025355) is 4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine?
The canonical SMILES for 4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine is Cc1cccc(N2/C(=N/c3ccccc3)CC2c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine?
The InChIKey is MPMCCROGIWDSHV-ZNTNEXAZSA-N. The full InChI is InChI=1S/C22H19ClN2/c1-16-6-5-9-20(14-16)25-21(17-10-12-18(23)13-11-17)15-22(25)24-19-7-3-2-4-8-19/h2-14,21H,15H2,1H3/b24-22+.
What are the key properties of 4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine?
4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine has a molecular weight of 346.86 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine is sourced from PubChem (CID 159025355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).