5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide

C33H32Cl2N4O3 — CID 42755759

About 5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide

5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide (PubChem CID 42755759) has the molecular formula C33H32Cl2N4O3 and a molecular weight of 603.55 g/mol. Its IUPAC name is 5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide.

Molecular Properties

• Compound Name: 5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
• PubChem CID: 42755759
• Molecular Formula: C33H32Cl2N4O3
• Molecular Weight: 603.55 g/mol
• Exact Mass: 602.19
• IUPAC Name: 5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
• SMILES: COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C(=O)NCCc2ccccc2)CC1
• InChI: InChI=1S/C33H32Cl2N4O3/c1-42-31-10-6-5-9-30(31)39-19-17-38(18-20-39)29-14-12-25(37-33(41)26-13-11-24(34)21-28(26)35)22-27(29)32(40)36-16-15-23-7-3-2-4-8-23/h2-14,21-22H,15-20H2,1H3,(H,36,40)(H,37,41)
• InChIKey: GAFZSVRYYOEUHY-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.55
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide?

The IUPAC name of 5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide (CID 42755759) is 5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide.

What is the SMILES notation for 5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide?

The canonical SMILES for 5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide is COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C(=O)NCCc2ccccc2)CC1.

What is the InChIKey of 5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide?

The InChIKey is GAFZSVRYYOEUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32Cl2N4O3/c1-42-31-10-6-5-9-30(31)39-19-17-38(18-20-39)29-14-12-25(37-33(41)26-13-11-24(34)21-28(26)35)22-27(29)32(40)36-16-15-23-7-3-2-4-8-23/h2-14,21-22H,15-20H2,1H3,(H,36,40)(H,37,41).

What are the key properties of 5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide?

5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide has a molecular weight of 603.55 g/mol, XLogP of 6.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 42755759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).