(E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine

C20H19FN2O — CID 6323688

IUPAC(E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine
SMILESCc1cc(/C=N/OCc2ccccc2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O/c1-15-12-18(13-22-24-14-17-6-4-3-5-7-17)16(2)23(15)20-10-8-19(21)9-11-20/h3-13H,14H2,1-2H3/b22-13+
InChIKeyWVUSIYMFDCHDGG-LPYMAVHISA-N
MW322.38 g/mol
LogP4.78
Rot. Bonds5

About (E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine

(E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine (PubChem CID 6323688) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is (E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name(E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine
PubChem CID6323688
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name(E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine
SMILESCc1cc(/C=N/OCc2ccccc2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O/c1-15-12-18(13-22-24-14-17-6-4-3-5-7-17)16(2)23(15)20-10-8-19(21)9-11-20/h3-13H,14H2,1-2H3/b22-13+
InChIKeyWVUSIYMFDCHDGG-LPYMAVHISA-N
XLogP4.78
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.78
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'}

Analyze (E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine?
The IUPAC name of (E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine (CID 6323688) is (E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine.
What is the SMILES notation for (E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine?
The canonical SMILES for (E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine is Cc1cc(/C=N/OCc2ccccc2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of (E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine?
The InChIKey is WVUSIYMFDCHDGG-LPYMAVHISA-N. The full InChI is InChI=1S/C20H19FN2O/c1-15-12-18(13-22-24-14-17-6-4-3-5-7-17)16(2)23(15)20-10-8-19(21)9-11-20/h3-13H,14H2,1-2H3/b22-13+.
What are the key properties of (E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine?
(E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine has a molecular weight of 322.38 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-phenylmethoxymethanimine is sourced from PubChem (CID 6323688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).