(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(cyclopentylmethyl)-N-[(3S)-3,4-dihydroxybutyl]-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;hydrochloride

C28H32Cl3F2N3O4 — CID 157191898

About (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(cyclopentylmethyl)-N-[(3S)-3,4-dihydroxybutyl]-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;hydrochloride

(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(cyclopentylmethyl)-N-[(3S)-3,4-dihydroxybutyl]-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;hydrochloride (PubChem CID 157191898) has the molecular formula C28H32Cl3F2N3O4 and a molecular weight of 618.94 g/mol. Its IUPAC name is (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(cyclopentylmethyl)-N-[(3S)-3,4-dihydroxybutyl]-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(cyclopentylmethyl)-N-[(3S)-3,4-dihydroxybutyl]-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;hydrochloride
• PubChem CID: 157191898
• Molecular Formula: C28H32Cl3F2N3O4
• Molecular Weight: 618.94 g/mol
• Exact Mass: 617.14
• IUPAC Name: (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(cyclopentylmethyl)-N-[(3S)-3,4-dihydroxybutyl]-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;hydrochloride
• SMILES: Cl.O=C(NCC[C@H](O)CO)[C@@H]1N[C@H](CC2CCCC2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1ccc(F)c(Cl)c1
• InChI: InChI=1S/C28H31Cl2F2N3O4.ClH/c29-18-10-15(5-6-20(18)31)24-25(26(38)33-8-7-16(37)13-36)35-23(9-14-3-1-2-4-14)28(24)17-11-21(32)19(30)12-22(17)34-27(28)39;/h5-6,10-12,14,16,23-25,35-37H,1-4,7-9,13H2,(H,33,38)(H,34,39);1H/t16-,23+,24-,25+,28-;/m0./s1
• InChIKey: HTOSXDVTMOAQHX-YOTZTEHGSA-N
• XLogP: 4.45
• TPSA: 110.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	618.94
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(cyclopentylmethyl)-N-[(3S)-3,4-dihydroxybutyl]-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;hydrochloride (CID 157191898) is (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(cyclopentylmethyl)-N-[(3S)-3,4-dihydroxybutyl]-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;hydrochloride.

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

The canonical SMILES for (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(cyclopentylmethyl)-N-[(3S)-3,4-dihydroxybutyl]-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;hydrochloride is Cl.O=C(NCC[C@H](O)CO)[C@@H]1N[C@H](CC2CCCC2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1ccc(F)c(Cl)c1.

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

The InChIKey is HTOSXDVTMOAQHX-YOTZTEHGSA-N. The full InChI is InChI=1S/C28H31Cl2F2N3O4.ClH/c29-18-10-15(5-6-20(18)31)24-25(26(38)33-8-7-16(37)13-36)35-23(9-14-3-1-2-4-14)28(24)17-11-21(32)19(30)12-22(17)34-27(28)39;/h5-6,10-12,14,16,23-25,35-37H,1-4,7-9,13H2,(H,33,38)(H,34,39);1H/t16-,23+,24-,25+,28-;/m0./s1.

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

(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(cyclopentylmethyl)-N-[(3S)-3,4-dihydroxybutyl]-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;hydrochloride has a molecular weight of 618.94 g/mol, XLogP of 4.45, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(cyclopentylmethyl)-N-[(3S)-3,4-dihydroxybutyl]-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;hydrochloride is sourced from PubChem (CID 157191898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).