6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(3,4-dihydroxybutyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C27H32Cl2FN3O4 — CID 73024827

About 6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(3,4-dihydroxybutyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(3,4-dihydroxybutyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 73024827) has the molecular formula C27H32Cl2FN3O4 and a molecular weight of 552.47 g/mol. Its IUPAC name is 6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(3,4-dihydroxybutyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(3,4-dihydroxybutyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
• PubChem CID: 73024827
• Molecular Formula: C27H32Cl2FN3O4
• Molecular Weight: 552.47 g/mol
• Exact Mass: 551.18
• IUPAC Name: 6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(3,4-dihydroxybutyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
• SMILES: CC(C)(C)CC1NC(C(=O)NCCC(O)CO)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12
• InChI: InChI=1S/C27H32Cl2FN3O4/c1-26(2,3)12-20-27(17-8-7-14(28)11-19(17)32-25(27)37)21(16-5-4-6-18(29)22(16)30)23(33-20)24(36)31-10-9-15(35)13-34/h4-8,11,15,20-21,23,33-35H,9-10,12-13H2,1-3H3,(H,31,36)(H,32,37)
• InChIKey: FYHKPZFIVNTTHR-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 110.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.47
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(3,4-dihydroxybutyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?

The IUPAC name of 6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(3,4-dihydroxybutyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 73024827) is 6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(3,4-dihydroxybutyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

What is the SMILES notation for 6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(3,4-dihydroxybutyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?

The canonical SMILES for 6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(3,4-dihydroxybutyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is CC(C)(C)CC1NC(C(=O)NCCC(O)CO)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12.

What is the InChIKey of 6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(3,4-dihydroxybutyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?

The InChIKey is FYHKPZFIVNTTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl2FN3O4/c1-26(2,3)12-20-27(17-8-7-14(28)11-19(17)32-25(27)37)21(16-5-4-6-18(29)22(16)30)23(33-20)24(36)31-10-9-15(35)13-34/h4-8,11,15,20-21,23,33-35H,9-10,12-13H2,1-3H3,(H,31,36)(H,32,37).

What are the key properties of 6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(3,4-dihydroxybutyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?

6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(3,4-dihydroxybutyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 552.47 g/mol, XLogP of 3.74, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(3,4-dihydroxybutyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 73024827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).