N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide

C25H20Cl2N4O — CID 84582854

About N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide

N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide (PubChem CID 84582854) has the molecular formula C25H20Cl2N4O and a molecular weight of 463.37 g/mol. Its IUPAC name is N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide.

Molecular Properties

• Compound Name: N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide
• PubChem CID: 84582854
• Molecular Formula: C25H20Cl2N4O
• Molecular Weight: 463.37 g/mol
• Exact Mass: 462.10
• IUPAC Name: N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide
• SMILES: O=C(NN=C/C(Cl)=C\c1ccccc1)c1ccc(N/N=C/C(Cl)=Cc2ccccc2)cc1
• InChI: InChI=1S/C25H20Cl2N4O/c26-22(15-19-7-3-1-4-8-19)17-28-30-24-13-11-21(12-14-24)25(32)31-29-18-23(27)16-20-9-5-2-6-10-20/h1-18,30H,(H,31,32)/b22-15?,23-16+,28-17+,29-18?
• InChIKey: CFEUJCDNAHZPSL-DRLOPMQNSA-N
• XLogP: 6.36
• TPSA: 65.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.37
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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 N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide?

The IUPAC name of N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide (CID 84582854) is N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide.

What is the SMILES notation for N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide?

The canonical SMILES for N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide is O=C(NN=C/C(Cl)=C\c1ccccc1)c1ccc(N/N=C/C(Cl)=Cc2ccccc2)cc1.

What is the InChIKey of N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide?

The InChIKey is CFEUJCDNAHZPSL-DRLOPMQNSA-N. The full InChI is InChI=1S/C25H20Cl2N4O/c26-22(15-19-7-3-1-4-8-19)17-28-30-24-13-11-21(12-14-24)25(32)31-29-18-23(27)16-20-9-5-2-6-10-20/h1-18,30H,(H,31,32)/b22-15?,23-16+,28-17+,29-18?.

What are the key properties of N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide?

N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide has a molecular weight of 463.37 g/mol, XLogP of 6.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-chloro-3-phenylprop-2-enylidene)hydrazinyl]benzamide is sourced from PubChem (CID 84582854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).