2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

C21H15ClN2O — CID 2796744

IUPAC2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(C(=NN=Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15ClN2O/c22-19-13-11-16(12-14-19)15-23-24-20(17-7-3-1-4-8-17)21(25)18-9-5-2-6-10-18/h1-15H
InChIKeyKWQRBQAHDAEYIK-UHFFFAOYSA-N
MW346.82 g/mol
LogP5.05
Rot. Bonds5

About 2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone

2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 2796744) has the molecular formula C21H15ClN2O and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID2796744
Molecular FormulaC21H15ClN2O
Molecular Weight346.82 g/mol
Exact Mass346.09
IUPAC Name2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
SMILESO=C(C(=NN=Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15ClN2O/c22-19-13-11-16(12-14-19)15-23-24-20(17-7-3-1-4-8-17)21(25)18-9-5-2-6-10-18/h1-15H
InChIKeyKWQRBQAHDAEYIK-UHFFFAOYSA-N
XLogP5.05
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.82
LogP ≤ 55.05
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 2-[(4-chlorophenyl)methylidenehydrazinylidene]-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 2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of 2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone (CID 2796744) is 2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for 2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for 2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is O=C(C(=NN=Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is KWQRBQAHDAEYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O/c22-19-13-11-16(12-14-19)15-23-24-20(17-7-3-1-4-8-17)21(25)18-9-5-2-6-10-18/h1-15H.
What are the key properties of 2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone?
2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 346.82 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 2796744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).