(3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione

C31H22Cl2F2N2O3 — CID 143819896

About (3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione

(3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 143819896) has the molecular formula C31H22Cl2F2N2O3 and a molecular weight of 579.43 g/mol. Its IUPAC name is (3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

• Compound Name: (3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
• PubChem CID: 143819896
• Molecular Formula: C31H22Cl2F2N2O3
• Molecular Weight: 579.43 g/mol
• Exact Mass: 578.10
• IUPAC Name: (3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
• SMILES: Cc1ccc(Oc2ccc(F)cc2[C@H]2NC(=O)C[C@@H](c3cc(Cl)ccc3F)[C@]23C(=O)Nc2cc(Cl)ccc23)cc1
• InChI: InChI=1S/C31H22Cl2F2N2O3/c1-16-2-7-20(8-3-16)40-27-11-6-19(34)14-22(27)29-31(23-9-4-18(33)13-26(23)36-30(31)39)24(15-28(38)37-29)21-12-17(32)5-10-25(21)35/h2-14,24,29H,15H2,1H3,(H,36,39)(H,37,38)/t24-,29+,31-/m0/s1
• InChIKey: LMFNPWNIWLPLLP-LHJUMPSXSA-N
• XLogP: 7.61
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.43
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione?

The IUPAC name of (3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 143819896) is (3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

What is the SMILES notation for (3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione?

The canonical SMILES for (3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione is Cc1ccc(Oc2ccc(F)cc2[C@H]2NC(=O)C[C@@H](c3cc(Cl)ccc3F)[C@]23C(=O)Nc2cc(Cl)ccc23)cc1.

What is the InChIKey of (3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione?

The InChIKey is LMFNPWNIWLPLLP-LHJUMPSXSA-N. The full InChI is InChI=1S/C31H22Cl2F2N2O3/c1-16-2-7-20(8-3-16)40-27-11-6-19(34)14-22(27)29-31(23-9-4-18(33)13-26(23)36-30(31)39)24(15-28(38)37-29)21-12-17(32)5-10-25(21)35/h2-14,24,29H,15H2,1H3,(H,36,39)(H,37,38)/t24-,29+,31-/m0/s1.

What are the key properties of (3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione?

(3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 579.43 g/mol, XLogP of 7.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 143819896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).