1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine

C23H20Cl2FNO2 — CID 126216961

IUPAC1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(F)c1
InChIInChI=1S/C23H20Cl2FNO2/c1-3-28-22-12-17(13-27-21-9-5-8-19(24)15(21)2)11-20(25)23(22)29-14-16-6-4-7-18(26)10-16/h4-13H,3,14H2,1-2H3/b27-13+
InChIKeyMIICYDUWCVGIMM-UVHMKAGCSA-N
MW432.32 g/mol
LogP7.17
Rot. Bonds7

About 1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine

1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine (PubChem CID 126216961) has the molecular formula C23H20Cl2FNO2 and a molecular weight of 432.32 g/mol. Its IUPAC name is 1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
PubChem CID126216961
Molecular FormulaC23H20Cl2FNO2
Molecular Weight432.32 g/mol
Exact Mass431.09
IUPAC Name1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(F)c1
InChIInChI=1S/C23H20Cl2FNO2/c1-3-28-22-12-17(13-27-21-9-5-8-19(24)15(21)2)11-20(25)23(22)29-14-16-6-4-7-18(26)10-16/h4-13H,3,14H2,1-2H3/b27-13+
InChIKeyMIICYDUWCVGIMM-UVHMKAGCSA-N
XLogP7.17
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.32
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126217392
1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126217786
N-(3-chloro-2-methylphenyl)-1-[3-[(3-fluorophenyl)methoxy]phenyl]methanimine
CID 126219221
1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126218474
N'-[(Z)-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 8930005
N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine
CID 126225878
1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126214930
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126222406
1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126209246
N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126221318
5-[[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1340694
1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126225118

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine?
The IUPAC name of 1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine (CID 126216961) is 1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine.
What is the SMILES notation for 1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine?
The canonical SMILES for 1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine is CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(F)c1.
What is the InChIKey of 1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine?
The InChIKey is MIICYDUWCVGIMM-UVHMKAGCSA-N. The full InChI is InChI=1S/C23H20Cl2FNO2/c1-3-28-22-12-17(13-27-21-9-5-8-19(24)15(21)2)11-20(25)23(22)29-14-16-6-4-7-18(26)10-16/h4-13H,3,14H2,1-2H3/b27-13+.
What are the key properties of 1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine?
1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine has a molecular weight of 432.32 g/mol, XLogP of 7.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine is sourced from PubChem (CID 126216961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).