(2'R,3S,3'S)-3'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C24H24ClF2N3O2 — CID 118680370

IUPAC(2'R,3S,3'S)-3'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1NC[C@]2(C(=O)Nc3cc(F)ccc32)[C@H]1c1cccc(Cl)c1F
InChIInChI=1S/C24H24ClF2N3O2/c25-17-8-4-7-15(20(17)27)19-21(22(31)29-14-5-2-1-3-6-14)28-12-24(19)16-10-9-13(26)11-18(16)30-23(24)32/h4,7-11,14,19,21,28H,1-3,5-6,12H2,(H,29,31)(H,30,32)/t19-,21+,24+/m0/s1
InChIKeyPZHGXLUHPVKPLQ-XZDHIHRUSA-N
MW459.92 g/mol
LogP4.01
Rot. Bonds3

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

(2'R,3S,3'S)-3'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 118680370) has the molecular formula C24H24ClF2N3O2 and a molecular weight of 459.92 g/mol. Its IUPAC name is (2'R,3S,3'S)-3'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name(2'R,3S,3'S)-3'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID118680370
Molecular FormulaC24H24ClF2N3O2
Molecular Weight459.92 g/mol
Exact Mass459.15
IUPAC Name(2'R,3S,3'S)-3'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1NC[C@]2(C(=O)Nc3cc(F)ccc32)[C@H]1c1cccc(Cl)c1F
InChIInChI=1S/C24H24ClF2N3O2/c25-17-8-4-7-15(20(17)27)19-21(22(31)29-14-5-2-1-3-6-14)28-12-24(19)16-10-9-13(26)11-18(16)30-23(24)32/h4,7-11,14,19,21,28H,1-3,5-6,12H2,(H,29,31)(H,30,32)/t19-,21+,24+/m0/s1
InChIKeyPZHGXLUHPVKPLQ-XZDHIHRUSA-N
XLogP4.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.92
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2'R,3S,3'S)-3'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide with MolForge

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Related Compounds

(2'R,3R,3'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-2-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]spiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 176788311
CID 134289571
CID 134289571
(2'R,3R,3'S,5'S)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-6-fluoro-N-(4-hydroxycyclohexyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 53476876
(2'R,3S,3'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5-fluoro-2-oxo-N-(4-pyrrolidin-1-ylbutyl)spiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 118680387
CID 171053366
CID 171053366
(2'R,3'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5',5'-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 71465785
(2'R,3R,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(cyclopentylmethyl)-N-(4-hydroxycyclohexyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 53476988
(2'S,3S,4'S)-6-chloro-2'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-4'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 58398994
CID 71023224
CID 71023224
(3R,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-(4-hydroxycyclohexyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 130215108
6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-oxo-5',5'-dipropylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 123581448
CID 176612078
CID 176612078

Frequently Asked Questions

What is the IUPAC name of (2'R,3S,3'S)-3'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of (2'R,3S,3'S)-3'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 118680370) is (2'R,3S,3'S)-3'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for (2'R,3S,3'S)-3'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for (2'R,3S,3'S)-3'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is O=C(NC1CCCCC1)[C@@H]1NC[C@]2(C(=O)Nc3cc(F)ccc32)[C@H]1c1cccc(Cl)c1F.
What is the InChIKey of (2'R,3S,3'S)-3'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is PZHGXLUHPVKPLQ-XZDHIHRUSA-N. The full InChI is InChI=1S/C24H24ClF2N3O2/c25-17-8-4-7-15(20(17)27)19-21(22(31)29-14-5-2-1-3-6-14)28-12-24(19)16-10-9-13(26)11-18(16)30-23(24)32/h4,7-11,14,19,21,28H,1-3,5-6,12H2,(H,29,31)(H,30,32)/t19-,21+,24+/m0/s1.
What are the key properties of (2'R,3S,3'S)-3'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
(2'R,3S,3'S)-3'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 459.92 g/mol, XLogP of 4.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S,3'S)-3'-(3-chloro-2-fluorophenyl)-N-cyclohexyl-6-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 118680370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).