N-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide

C23H17NO2 — CID 10860727

IUPACN-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide
SMILESO=C(NC1/C(=C\c2ccccc2)C(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C23H17NO2/c25-22-19-14-8-7-13-18(19)21(20(22)15-16-9-3-1-4-10-16)24-23(26)17-11-5-2-6-12-17/h1-15,21H,(H,24,26)/b20-15+
InChIKeyWYYHACBZWBBMLD-HMMYKYKNSA-N
MW339.39 g/mol
LogP4.44
Rot. Bonds3

About N-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide

N-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide (PubChem CID 10860727) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide.

Molecular Properties

Compound NameN-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide
PubChem CID10860727
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC NameN-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide
SMILESO=C(NC1/C(=C\c2ccccc2)C(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C23H17NO2/c25-22-19-14-8-7-13-18(19)21(20(22)15-16-9-3-1-4-10-16)24-23(26)17-11-5-2-6-12-17/h1-15,21H,(H,24,26)/b20-15+
InChIKeyWYYHACBZWBBMLD-HMMYKYKNSA-N
XLogP4.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide 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 N-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide?
The IUPAC name of N-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide (CID 10860727) is N-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide.
What is the SMILES notation for N-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide?
The canonical SMILES for N-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide is O=C(NC1/C(=C\c2ccccc2)C(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of N-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide?
The InChIKey is WYYHACBZWBBMLD-HMMYKYKNSA-N. The full InChI is InChI=1S/C23H17NO2/c25-22-19-14-8-7-13-18(19)21(20(22)15-16-9-3-1-4-10-16)24-23(26)17-11-5-2-6-12-17/h1-15,21H,(H,24,26)/b20-15+.
What are the key properties of N-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide?
N-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide has a molecular weight of 339.39 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-benzylidene-3-oxo-1H-inden-1-yl]benzamide is sourced from PubChem (CID 10860727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).