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

C33H33ClN4O3 — CID 42755758

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

5-[(2-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide (PubChem CID 42755758) has the molecular formula C33H33ClN4O3 and a molecular weight of 569.11 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide.

Molecular Properties

• Compound Name: 5-[(2-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
• PubChem CID: 42755758
• Molecular Formula: C33H33ClN4O3
• Molecular Weight: 569.11 g/mol
• Exact Mass: 568.22
• IUPAC Name: 5-[(2-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
• SMILES: COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2C(=O)NCCc2ccccc2)CC1
• InChI: InChI=1S/C33H33ClN4O3/c1-41-31-14-8-7-13-30(31)38-21-19-37(20-22-38)29-16-15-25(36-33(40)26-11-5-6-12-28(26)34)23-27(29)32(39)35-18-17-24-9-3-2-4-10-24/h2-16,23H,17-22H2,1H3,(H,35,39)(H,36,40)
• InChIKey: JXMUEUOVDIIERC-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.11
LogP ≤ 5	5.90
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-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide?

The IUPAC name of 5-[(2-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide (CID 42755758) is 5-[(2-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide.

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

The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide is COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2C(=O)NCCc2ccccc2)CC1.

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

The InChIKey is JXMUEUOVDIIERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33ClN4O3/c1-41-31-14-8-7-13-30(31)38-21-19-37(20-22-38)29-16-15-25(36-33(40)26-11-5-6-12-28(26)34)23-27(29)32(39)35-18-17-24-9-3-2-4-10-24/h2-16,23H,17-22H2,1H3,(H,35,39)(H,36,40).

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

5-[(2-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide has a molecular weight of 569.11 g/mol, XLogP of 5.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 42755758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).