N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

C24H22Cl2N4O4 — CID 94837449

About N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 94837449) has the molecular formula C24H22Cl2N4O4 and a molecular weight of 501.37 g/mol. Its IUPAC name is N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
• PubChem CID: 94837449
• Molecular Formula: C24H22Cl2N4O4
• Molecular Weight: 501.37 g/mol
• Exact Mass: 500.10
• IUPAC Name: N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
• SMILES: COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1
• InChI: InChI=1S/C24H22Cl2N4O4/c1-33-22-5-3-2-4-20(22)29-10-12-30(13-11-29)24(32)23(31)28-27-15-17-7-9-21(34-17)16-6-8-18(25)19(26)14-16/h2-9,14-15H,10-13H2,1H3,(H,28,31)/b27-15+
• InChIKey: FRTKORZHWCJAIK-JFLMPSFJSA-N
• XLogP: 4.06
• TPSA: 87.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.37
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?

The IUPAC name of N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (CID 94837449) is N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.

What is the SMILES notation for N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1.

What is the InChIKey of N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?

The InChIKey is FRTKORZHWCJAIK-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H22Cl2N4O4/c1-33-22-5-3-2-4-20(22)29-10-12-30(13-11-29)24(32)23(31)28-27-15-17-7-9-21(34-17)16-6-8-18(25)19(26)14-16/h2-9,14-15H,10-13H2,1H3,(H,28,31)/b27-15+.

What are the key properties of N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?

N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 501.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 94837449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).