(Z,E)-3-(4-fluorophenyl)-N-phenylmethoxy-1-pyridin-3-ylprop-2-en-1-imine

C21H17FN2O — CID 138858218

IUPAC(Z,E)-3-(4-fluorophenyl)-N-phenylmethoxy-1-pyridin-3-ylprop-2-en-1-imine
SMILESFc1ccc(/C=C/C(=N/OCc2ccccc2)c2cccnc2)cc1
InChIInChI=1S/C21H17FN2O/c22-20-11-8-17(9-12-20)10-13-21(19-7-4-14-23-15-19)24-25-16-18-5-2-1-3-6-18/h1-15H,16H2/b13-10+,24-21-
InChIKeyZBZMDWNMUSWGIM-YAQOBOSHSA-N
MW332.38 g/mol
LogP4.86
Rot. Bonds6

About (Z,E)-3-(4-fluorophenyl)-N-phenylmethoxy-1-pyridin-3-ylprop-2-en-1-imine

(Z,E)-3-(4-fluorophenyl)-N-phenylmethoxy-1-pyridin-3-ylprop-2-en-1-imine (PubChem CID 138858218) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is (Z,E)-3-(4-fluorophenyl)-N-phenylmethoxy-1-pyridin-3-ylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z,E)-3-(4-fluorophenyl)-N-phenylmethoxy-1-pyridin-3-ylprop-2-en-1-imine
PubChem CID138858218
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name(Z,E)-3-(4-fluorophenyl)-N-phenylmethoxy-1-pyridin-3-ylprop-2-en-1-imine
SMILESFc1ccc(/C=C/C(=N/OCc2ccccc2)c2cccnc2)cc1
InChIInChI=1S/C21H17FN2O/c22-20-11-8-17(9-12-20)10-13-21(19-7-4-14-23-15-19)24-25-16-18-5-2-1-3-6-18/h1-15H,16H2/b13-10+,24-21-
InChIKeyZBZMDWNMUSWGIM-YAQOBOSHSA-N
XLogP4.86
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.86
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 (Z,E)-3-(4-fluorophenyl)-N-phenylmethoxy-1-pyridin-3-ylprop-2-en-1-imine?
The IUPAC name of (Z,E)-3-(4-fluorophenyl)-N-phenylmethoxy-1-pyridin-3-ylprop-2-en-1-imine (CID 138858218) is (Z,E)-3-(4-fluorophenyl)-N-phenylmethoxy-1-pyridin-3-ylprop-2-en-1-imine.
What is the SMILES notation for (Z,E)-3-(4-fluorophenyl)-N-phenylmethoxy-1-pyridin-3-ylprop-2-en-1-imine?
The canonical SMILES for (Z,E)-3-(4-fluorophenyl)-N-phenylmethoxy-1-pyridin-3-ylprop-2-en-1-imine is Fc1ccc(/C=C/C(=N/OCc2ccccc2)c2cccnc2)cc1.
What is the InChIKey of (Z,E)-3-(4-fluorophenyl)-N-phenylmethoxy-1-pyridin-3-ylprop-2-en-1-imine?
The InChIKey is ZBZMDWNMUSWGIM-YAQOBOSHSA-N. The full InChI is InChI=1S/C21H17FN2O/c22-20-11-8-17(9-12-20)10-13-21(19-7-4-14-23-15-19)24-25-16-18-5-2-1-3-6-18/h1-15H,16H2/b13-10+,24-21-.
What are the key properties of (Z,E)-3-(4-fluorophenyl)-N-phenylmethoxy-1-pyridin-3-ylprop-2-en-1-imine?
(Z,E)-3-(4-fluorophenyl)-N-phenylmethoxy-1-pyridin-3-ylprop-2-en-1-imine has a molecular weight of 332.38 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,E)-3-(4-fluorophenyl)-N-phenylmethoxy-1-pyridin-3-ylprop-2-en-1-imine is sourced from PubChem (CID 138858218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).