4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide

C29H28Cl2N4O3 — CID 25105716

About 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide

4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide (PubChem CID 25105716) has the molecular formula C29H28Cl2N4O3 and a molecular weight of 551.47 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
• PubChem CID: 25105716
• Molecular Formula: C29H28Cl2N4O3
• Molecular Weight: 551.47 g/mol
• Exact Mass: 550.15
• IUPAC Name: 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
• SMILES: O=C(c1ccc(Cl)cc1)N(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)C(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C29H28Cl2N4O3/c30-23-10-6-21(7-11-23)26(36)34(27(37)22-8-12-24(31)13-9-22)19-18-33-16-14-29(15-17-33)28(38)32-20-35(29)25-4-2-1-3-5-25/h1-13H,14-20H2,(H,32,38)
• InChIKey: KIOMHAPZIAUVSW-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.47
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide?

The IUPAC name of 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide (CID 25105716) is 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide.

What is the SMILES notation for 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide?

The canonical SMILES for 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide is O=C(c1ccc(Cl)cc1)N(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)C(=O)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide?

The InChIKey is KIOMHAPZIAUVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N4O3/c30-23-10-6-21(7-11-23)26(36)34(27(37)22-8-12-24(31)13-9-22)19-18-33-16-14-29(15-17-33)28(38)32-20-35(29)25-4-2-1-3-5-25/h1-13H,14-20H2,(H,32,38).

What are the key properties of 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide?

4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide has a molecular weight of 551.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(4-chlorobenzoyl)-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide is sourced from PubChem (CID 25105716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).