(2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine

C18H16FNO2 — CID 175907524

IUPAC(2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine
SMILESCON=C1/C(=C/c2ccc(F)cc2)Cc2cc(OC)ccc21
InChIInChI=1S/C18H16FNO2/c1-21-16-7-8-17-13(11-16)10-14(18(17)20-22-2)9-12-3-5-15(19)6-4-12/h3-9,11H,10H2,1-2H3/b14-9+,20-18?
InChIKeyKSZGFZGUQADDOW-UCOZLTMUSA-N
MW297.33 g/mol
LogP3.82
Rot. Bonds3

About (2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine

(2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine (PubChem CID 175907524) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is (2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine.

Molecular Properties

Compound Name(2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine
PubChem CID175907524
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name(2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine
SMILESCON=C1/C(=C/c2ccc(F)cc2)Cc2cc(OC)ccc21
InChIInChI=1S/C18H16FNO2/c1-21-16-7-8-17-13(11-16)10-14(18(17)20-22-2)9-12-3-5-15(19)6-4-12/h3-9,11H,10H2,1-2H3/b14-9+,20-18?
InChIKeyKSZGFZGUQADDOW-UCOZLTMUSA-N
XLogP3.82
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine?
The IUPAC name of (2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine (CID 175907524) is (2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine.
What is the SMILES notation for (2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine?
The canonical SMILES for (2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine is CON=C1/C(=C/c2ccc(F)cc2)Cc2cc(OC)ccc21.
What is the InChIKey of (2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine?
The InChIKey is KSZGFZGUQADDOW-UCOZLTMUSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-21-16-7-8-17-13(11-16)10-14(18(17)20-22-2)9-12-3-5-15(19)6-4-12/h3-9,11H,10H2,1-2H3/b14-9+,20-18?.
What are the key properties of (2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine?
(2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine has a molecular weight of 297.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-fluorophenyl)methylidene]-N,5-dimethoxy-3H-inden-1-imine is sourced from PubChem (CID 175907524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).