(Z)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(3-fluorophenyl)methoxy]methanimine

C20H18F2N2O — CID 134132851

IUPAC(Z)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(3-fluorophenyl)methoxy]methanimine
SMILESCc1cc(/C=N\OCc2cccc(F)c2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C20H18F2N2O/c1-14-10-17(12-23-25-13-16-4-3-5-19(22)11-16)15(2)24(14)20-8-6-18(21)7-9-20/h3-12H,13H2,1-2H3/b23-12-
InChIKeyIEBYYQSPHLUZTR-FMCGGJTJSA-N
MW340.37 g/mol
LogP4.92
Rot. Bonds5

About (Z)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(3-fluorophenyl)methoxy]methanimine

(Z)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(3-fluorophenyl)methoxy]methanimine (PubChem CID 134132851) has the molecular formula C20H18F2N2O and a molecular weight of 340.37 g/mol. Its IUPAC name is (Z)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(3-fluorophenyl)methoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(3-fluorophenyl)methoxy]methanimine
PubChem CID134132851
Molecular FormulaC20H18F2N2O
Molecular Weight340.37 g/mol
Exact Mass340.14
IUPAC Name(Z)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(3-fluorophenyl)methoxy]methanimine
SMILESCc1cc(/C=N\OCc2cccc(F)c2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C20H18F2N2O/c1-14-10-17(12-23-25-13-16-4-3-5-19(22)11-16)15(2)24(14)20-8-6-18(21)7-9-20/h3-12H,13H2,1-2H3/b23-12-
InChIKeyIEBYYQSPHLUZTR-FMCGGJTJSA-N
XLogP4.92
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'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)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(3-fluorophenyl)methoxy]methanimine?
The IUPAC name of (Z)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(3-fluorophenyl)methoxy]methanimine (CID 134132851) is (Z)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(3-fluorophenyl)methoxy]methanimine.
What is the SMILES notation for (Z)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(3-fluorophenyl)methoxy]methanimine?
The canonical SMILES for (Z)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(3-fluorophenyl)methoxy]methanimine is Cc1cc(/C=N\OCc2cccc(F)c2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of (Z)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(3-fluorophenyl)methoxy]methanimine?
The InChIKey is IEBYYQSPHLUZTR-FMCGGJTJSA-N. The full InChI is InChI=1S/C20H18F2N2O/c1-14-10-17(12-23-25-13-16-4-3-5-19(22)11-16)15(2)24(14)20-8-6-18(21)7-9-20/h3-12H,13H2,1-2H3/b23-12-.
What are the key properties of (Z)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(3-fluorophenyl)methoxy]methanimine?
(Z)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(3-fluorophenyl)methoxy]methanimine has a molecular weight of 340.37 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-[(3-fluorophenyl)methoxy]methanimine is sourced from PubChem (CID 134132851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).