4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide

C29H24ClN3O2 — CID 16761074

About 4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide

4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide (PubChem CID 16761074) has the molecular formula C29H24ClN3O2 and a molecular weight of 481.98 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide
• PubChem CID: 16761074
• Molecular Formula: C29H24ClN3O2
• Molecular Weight: 481.98 g/mol
• Exact Mass: 481.16
• IUPAC Name: 4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide
• SMILES: O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C29H24ClN3O2/c30-26-17-15-25(16-18-26)29(35)31-20-28(34)33-32-27(19-21-7-3-1-4-8-21)24-13-11-23(12-14-24)22-9-5-2-6-10-22/h1-18H,19-20H2,(H,31,35)(H,33,34)/b32-27+
• InChIKey: HSMAKNRUSOEBKQ-QVAGMWBUSA-N
• XLogP: 5.50
• TPSA: 70.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.98
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide?

The IUPAC name of 4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide (CID 16761074) is 4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide.

What is the SMILES notation for 4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide?

The canonical SMILES for 4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide?

The InChIKey is HSMAKNRUSOEBKQ-QVAGMWBUSA-N. The full InChI is InChI=1S/C29H24ClN3O2/c30-26-17-15-25(16-18-26)29(35)31-20-28(34)33-32-27(19-21-7-3-1-4-8-21)24-13-11-23(12-14-24)22-9-5-2-6-10-22/h1-18H,19-20H2,(H,31,35)(H,33,34)/b32-27+.

What are the key properties of 4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide?

4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide has a molecular weight of 481.98 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 16761074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).