(4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione

C23H24Cl2N2O2 — CID 91136694

About (4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione

(4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione (PubChem CID 91136694) has the molecular formula C23H24Cl2N2O2 and a molecular weight of 431.36 g/mol. Its IUPAC name is (4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione.

Molecular Properties

• Compound Name: (4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione
• PubChem CID: 91136694
• Molecular Formula: C23H24Cl2N2O2
• Molecular Weight: 431.36 g/mol
• Exact Mass: 430.12
• IUPAC Name: (4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione
• SMILES: CC(C)CC1CNC(=O)C[C@H](c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12
• InChI: InChI=1S/C23H24Cl2N2O2/c1-13(2)8-15-12-26-21(28)11-19(14-4-3-5-16(24)9-14)23(15)18-7-6-17(25)10-20(18)27-22(23)29/h3-7,9-10,13,15,19H,8,11-12H2,1-2H3,(H,26,28)(H,27,29)/t15?,19-,23?/m1/s1
• InChIKey: YRXVCBXWZFVSGV-HVWVKJRRSA-N
• XLogP: 5.15
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.36
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione?

The IUPAC name of (4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione (CID 91136694) is (4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione.

What is the SMILES notation for (4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione?

The canonical SMILES for (4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione is CC(C)CC1CNC(=O)C[C@H](c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12.

What is the InChIKey of (4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione?

The InChIKey is YRXVCBXWZFVSGV-HVWVKJRRSA-N. The full InChI is InChI=1S/C23H24Cl2N2O2/c1-13(2)8-15-12-26-21(28)11-19(14-4-3-5-16(24)9-14)23(15)18-7-6-17(25)10-20(18)27-22(23)29/h3-7,9-10,13,15,19H,8,11-12H2,1-2H3,(H,26,28)(H,27,29)/t15?,19-,23?/m1/s1.

What are the key properties of (4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione?

(4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione has a molecular weight of 431.36 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione is sourced from PubChem (CID 91136694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).