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

C22H19ClN2O — CID 126702634

IUPACN-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccc(Cl)cc3)CC2c2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O/c1-26-20-13-11-19(12-14-20)25-21(16-5-3-2-4-6-16)15-22(25)24-18-9-7-17(23)8-10-18/h2-14,21H,15H2,1H3/b24-22+
InChIKeyZXAFZEFLRQTPLP-ZNTNEXAZSA-N
MW362.86 g/mol
LogP6.03
Rot. Bonds4

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

N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine (PubChem CID 126702634) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine
PubChem CID126702634
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC NameN-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccc(Cl)cc3)CC2c2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O/c1-26-20-13-11-19(12-14-20)25-21(16-5-3-2-4-6-16)15-22(25)24-18-9-7-17(23)8-10-18/h2-14,21H,15H2,1H3/b24-22+
InChIKeyZXAFZEFLRQTPLP-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

(4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 164624389
1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine
CID 126702630
1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 126702629
4-(4-chlorophenyl)-1-(3-methylphenyl)-N-phenylazetidin-2-imine
CID 159025355
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol
CID 137498449
N,4-diphenyl-1-[4-(2-propoxyethoxy)phenyl]azetidin-2-imine;1-(4-methylphenyl)-N,4-diphenylazetidin-2-imine;bis(4-(4-methylphenyl)-N,1-diphenylazetidin-2-imine)
CID 159253183
6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile
CID 15366597
2-[4-[2-(2-methylphenyl)imino-4-phenylazetidin-1-yl]phenoxy]ethanol
CID 170238899
anisole;1,4-dichlorobenzene
CID 175517246
(3R)-2-(4-chlorophenyl)-5-(2-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453212
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine?
The IUPAC name of N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine (CID 126702634) is N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine?
The canonical SMILES for N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine is COc1ccc(N2/C(=N/c3ccc(Cl)cc3)CC2c2ccccc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine?
The InChIKey is ZXAFZEFLRQTPLP-ZNTNEXAZSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-26-20-13-11-19(12-14-20)25-21(16-5-3-2-4-6-16)15-22(25)24-18-9-7-17(23)8-10-18/h2-14,21H,15H2,1H3/b24-22+.
What are the key properties of N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine?
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-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 N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine is sourced from PubChem (CID 126702634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).