2-[8-(2,4-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide

C28H26Cl2N4O3 — CID 3509588

About 2-[8-(2,4-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide

2-[8-(2,4-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide (PubChem CID 3509588) has the molecular formula C28H26Cl2N4O3 and a molecular weight of 537.45 g/mol. Its IUPAC name is 2-[8-(2,4-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[8-(2,4-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide
• PubChem CID: 3509588
• Molecular Formula: C28H26Cl2N4O3
• Molecular Weight: 537.45 g/mol
• Exact Mass: 536.14
• IUPAC Name: 2-[8-(2,4-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide
• SMILES: O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1=O)Nc1ccccc1
• InChI: InChI=1S/C28H26Cl2N4O3/c29-20-11-12-23(24(30)17-20)26(36)32-15-13-28(14-16-32)27(37)33(19-34(28)22-9-5-2-6-10-22)18-25(35)31-21-7-3-1-4-8-21/h1-12,17H,13-16,18-19H2,(H,31,35)
• InChIKey: KOYFBYXAKSYWEI-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.45
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[8-(2,4-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide (CID 3509588) is 2-[8-(2,4-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide.

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

The canonical SMILES for 2-[8-(2,4-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide is O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1=O)Nc1ccccc1.

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

The InChIKey is KOYFBYXAKSYWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O3/c29-20-11-12-23(24(30)17-20)26(36)32-15-13-28(14-16-32)27(37)33(19-34(28)22-9-5-2-6-10-22)18-25(35)31-21-7-3-1-4-8-21/h1-12,17H,13-16,18-19H2,(H,31,35).

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

2-[8-(2,4-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide has a molecular weight of 537.45 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(2,4-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide is sourced from PubChem (CID 3509588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).