(2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone

C22H17FN2O — CID 18204709

IUPAC(2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
SMILESC/C(=N\N=C(\C(=O)c1ccccc1)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C22H17FN2O/c1-16(19-13-8-14-20(23)15-19)24-25-21(17-9-4-2-5-10-17)22(26)18-11-6-3-7-12-18/h2-15H,1H3/b24-16+,25-21+
InChIKeyGDXHZUGCGLRWPD-ADGWQJBRSA-N
MW344.39 g/mol
LogP4.92
Rot. Bonds5

About (2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone

(2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 18204709) has the molecular formula C22H17FN2O and a molecular weight of 344.39 g/mol. Its IUPAC name is (2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID18204709
Molecular FormulaC22H17FN2O
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name(2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
SMILESC/C(=N\N=C(\C(=O)c1ccccc1)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C22H17FN2O/c1-16(19-13-8-14-20(23)15-19)24-25-21(17-9-4-2-5-10-17)22(26)18-11-6-3-7-12-18/h2-15H,1H3/b24-16+,25-21+
InChIKeyGDXHZUGCGLRWPD-ADGWQJBRSA-N
XLogP4.92
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone 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 (2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone (CID 18204709) is (2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone is C/C(=N\N=C(\C(=O)c1ccccc1)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of (2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is GDXHZUGCGLRWPD-ADGWQJBRSA-N. The full InChI is InChI=1S/C22H17FN2O/c1-16(19-13-8-14-20(23)15-19)24-25-21(17-9-4-2-5-10-17)22(26)18-11-6-3-7-12-18/h2-15H,1H3/b24-16+,25-21+.
What are the key properties of (2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
(2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 344.39 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 (2E)-2-[(E)-1-(3-fluorophenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 18204709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).