N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]benzamide

C28H22N4O2 — CID 6416027

IUPACN-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]benzamide
SMILESO=C(N/N=C(C(=N/NC(=O)c1ccccc1)/c1ccccc1)\c1ccccc1)c1ccccc1
InChIInChI=1S/C28H22N4O2/c33-27(23-17-9-3-10-18-23)31-29-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)30-32-28(34)24-19-11-4-12-20-24/h1-20H,(H,31,33)(H,32,34)/b29-25+,30-26+
InChIKeyFCYVHTSUXHTTMQ-XDHTVYJESA-N
MW446.51 g/mol
LogP4.66
Rot. Bonds7

About N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]benzamide

N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]benzamide (PubChem CID 6416027) has the molecular formula C28H22N4O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]benzamide.

Molecular Properties

Compound NameN-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]benzamide
PubChem CID6416027
Molecular FormulaC28H22N4O2
Molecular Weight446.51 g/mol
Exact Mass446.17
IUPAC NameN-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]benzamide
SMILESO=C(N/N=C(C(=N/NC(=O)c1ccccc1)/c1ccccc1)\c1ccccc1)c1ccccc1
InChIInChI=1S/C28H22N4O2/c33-27(23-17-9-3-10-18-23)31-29-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)30-32-28(34)24-19-11-4-12-20-24/h1-20H,(H,31,33)(H,32,34)/b29-25+,30-26+
InChIKeyFCYVHTSUXHTTMQ-XDHTVYJESA-N
XLogP4.66
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]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-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]benzamide?
The IUPAC name of N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]benzamide (CID 6416027) is N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]benzamide.
What is the SMILES notation for N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]benzamide?
The canonical SMILES for N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]benzamide is O=C(N/N=C(C(=N/NC(=O)c1ccccc1)/c1ccccc1)\c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]benzamide?
The InChIKey is FCYVHTSUXHTTMQ-XDHTVYJESA-N. The full InChI is InChI=1S/C28H22N4O2/c33-27(23-17-9-3-10-18-23)31-29-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)30-32-28(34)24-19-11-4-12-20-24/h1-20H,(H,31,33)(H,32,34)/b29-25+,30-26+.
What are the key properties of N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]benzamide?
N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]benzamide has a molecular weight of 446.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2E)-2-(benzoylhydrazinylidene)-1,2-diphenylethylidene]amino]benzamide is sourced from PubChem (CID 6416027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).