(1E,4E)-N-[(2,6-dichlorophenyl)methoxy]-1,5-diphenylpenta-1,4-dien-3-imine

C24H19Cl2NO — CID 138377267

IUPAC(1E,4E)-N-[(2,6-dichlorophenyl)methoxy]-1,5-diphenylpenta-1,4-dien-3-imine
SMILESClc1cccc(Cl)c1CON=C(/C=C/c1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C24H19Cl2NO/c25-23-12-7-13-24(26)22(23)18-28-27-21(16-14-19-8-3-1-4-9-19)17-15-20-10-5-2-6-11-20/h1-17H,18H2/b16-14+,17-15+
InChIKeyQJUDLEFREJCNDN-YXLFCKQPSA-N
MW408.33 g/mol
LogP7.29
Rot. Bonds7

About (1E,4E)-N-[(2,6-dichlorophenyl)methoxy]-1,5-diphenylpenta-1,4-dien-3-imine

(1E,4E)-N-[(2,6-dichlorophenyl)methoxy]-1,5-diphenylpenta-1,4-dien-3-imine (PubChem CID 138377267) has the molecular formula C24H19Cl2NO and a molecular weight of 408.33 g/mol. Its IUPAC name is (1E,4E)-N-[(2,6-dichlorophenyl)methoxy]-1,5-diphenylpenta-1,4-dien-3-imine.

Molecular Properties

Compound Name(1E,4E)-N-[(2,6-dichlorophenyl)methoxy]-1,5-diphenylpenta-1,4-dien-3-imine
PubChem CID138377267
Molecular FormulaC24H19Cl2NO
Molecular Weight408.33 g/mol
Exact Mass407.08
IUPAC Name(1E,4E)-N-[(2,6-dichlorophenyl)methoxy]-1,5-diphenylpenta-1,4-dien-3-imine
SMILESClc1cccc(Cl)c1CON=C(/C=C/c1ccccc1)/C=C/c1ccccc1
InChIInChI=1S/C24H19Cl2NO/c25-23-12-7-13-24(26)22(23)18-28-27-21(16-14-19-8-3-1-4-9-19)17-15-20-10-5-2-6-11-20/h1-17H,18H2/b16-14+,17-15+
InChIKeyQJUDLEFREJCNDN-YXLFCKQPSA-N
XLogP7.29
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.33
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylpropyl)-4-oxopiperidine O-(2,6-Dichlorobenzyl)oxime
CID 24773636
N-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine
CID 46881759
N-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine
CID 46881800
1-(1-adamantyl)-N-[(2,4-dichlorophenyl)methoxy]-1-phenyl-methanimine
CID 9579226
(E)-N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine
CID 9583131
N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine
CID 2799913
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]-1-phenylmethanimine
CID 88957316
1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]-1-phenylmethanimine
CID 123157802
(E)-1-(4-chlorophenyl)-N-[(E,1S)-1,3-diphenylprop-2-enoxy]ethanimine
CID 53469709
O-benzyl 2,4-dichlorobenzaldoxime
CID 75981018
3-(2-Chlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole
CID 102359868
5-(2-Chlorophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 134863575

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-N-[(2,6-dichlorophenyl)methoxy]-1,5-diphenylpenta-1,4-dien-3-imine?
The IUPAC name of (1E,4E)-N-[(2,6-dichlorophenyl)methoxy]-1,5-diphenylpenta-1,4-dien-3-imine (CID 138377267) is (1E,4E)-N-[(2,6-dichlorophenyl)methoxy]-1,5-diphenylpenta-1,4-dien-3-imine.
What is the SMILES notation for (1E,4E)-N-[(2,6-dichlorophenyl)methoxy]-1,5-diphenylpenta-1,4-dien-3-imine?
The canonical SMILES for (1E,4E)-N-[(2,6-dichlorophenyl)methoxy]-1,5-diphenylpenta-1,4-dien-3-imine is Clc1cccc(Cl)c1CON=C(/C=C/c1ccccc1)/C=C/c1ccccc1.
What is the InChIKey of (1E,4E)-N-[(2,6-dichlorophenyl)methoxy]-1,5-diphenylpenta-1,4-dien-3-imine?
The InChIKey is QJUDLEFREJCNDN-YXLFCKQPSA-N. The full InChI is InChI=1S/C24H19Cl2NO/c25-23-12-7-13-24(26)22(23)18-28-27-21(16-14-19-8-3-1-4-9-19)17-15-20-10-5-2-6-11-20/h1-17H,18H2/b16-14+,17-15+.
What are the key properties of (1E,4E)-N-[(2,6-dichlorophenyl)methoxy]-1,5-diphenylpenta-1,4-dien-3-imine?
(1E,4E)-N-[(2,6-dichlorophenyl)methoxy]-1,5-diphenylpenta-1,4-dien-3-imine has a molecular weight of 408.33 g/mol, XLogP of 7.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-N-[(2,6-dichlorophenyl)methoxy]-1,5-diphenylpenta-1,4-dien-3-imine is sourced from PubChem (CID 138377267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).