(3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione

C25H19Cl2F3N2O2 — CID 70311908

IUPAC(3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESO=C1CC(C2C=CC=C(Cl)C2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2ccccc2C(F)(F)F)N1
InChIInChI=1S/C25H19Cl2F3N2O2/c26-14-5-3-4-13(10-14)19-12-21(33)32-22(16-6-1-2-7-17(16)25(28,29)30)24(19)18-9-8-15(27)11-20(18)31-23(24)34/h1-9,11,13,19,22H,10,12H2,(H,31,34)(H,32,33)/t13?,19?,22-,24+/m1/s1
InChIKeyGXKSPCGZNFLFSP-VZTWKFOHSA-N
MW507.34 g/mol
LogP6.12
Rot. Bonds2

About (3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione

(3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 70311908) has the molecular formula C25H19Cl2F3N2O2 and a molecular weight of 507.34 g/mol. Its IUPAC name is (3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name(3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID70311908
Molecular FormulaC25H19Cl2F3N2O2
Molecular Weight507.34 g/mol
Exact Mass506.08
IUPAC Name(3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESO=C1CC(C2C=CC=C(Cl)C2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2ccccc2C(F)(F)F)N1
InChIInChI=1S/C25H19Cl2F3N2O2/c26-14-5-3-4-13(10-14)19-12-21(33)32-22(16-6-1-2-7-17(16)25(28,29)30)24(19)18-9-8-15(27)11-20(18)31-23(24)34/h1-9,11,13,19,22H,10,12H2,(H,31,34)(H,32,33)/t13?,19?,22-,24+/m1/s1
InChIKeyGXKSPCGZNFLFSP-VZTWKFOHSA-N
XLogP6.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.34
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione with MolForge

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Related Compounds

(3R,4'S,6'S)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-(2,3-difluoro-6-propan-2-yloxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 67572966
(3R,6'S)-6'-[5-bromo-2-(4-methoxyphenoxy)phenyl]-6-chloro-4'-[(1S)-5-chlorocyclohexa-2,4-dien-1-yl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 173486976
(3R,4'S,6'R)-6'-[2-[(1-acetylpiperidin-4-yl)amino]-5-ethynylphenyl]-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 87092037
methyl 4-[4-bromo-2-[(2'R,3R,4'S)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]phenoxy]-3-chlorobenzoate
CID 66656473
tert-butyl 4-[[2-[(2'S,3R,4'S)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-iodophenoxy]methyl]piperidine-1-carboxylate
CID 173005087
(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-6'-sulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-piperidine]-2-one
CID 162583566
(3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958160
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958392
(2'S,3R)-6-chloro-4'-(3-chlorophenyl)-6'-methylsulfanyl-2'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one
CID 86622022
6-chloro-6'-(3-chlorophenyl)-4'-phenylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 131727313
(3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538298
(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2,4-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68961944

Frequently Asked Questions

What is the IUPAC name of (3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of (3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 70311908) is (3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for (3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for (3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione is O=C1CC(C2C=CC=C(Cl)C2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2ccccc2C(F)(F)F)N1.
What is the InChIKey of (3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is GXKSPCGZNFLFSP-VZTWKFOHSA-N. The full InChI is InChI=1S/C25H19Cl2F3N2O2/c26-14-5-3-4-13(10-14)19-12-21(33)32-22(16-6-1-2-7-17(16)25(28,29)30)24(19)18-9-8-15(27)11-20(18)31-23(24)34/h1-9,11,13,19,22H,10,12H2,(H,31,34)(H,32,33)/t13?,19?,22-,24+/m1/s1.
What are the key properties of (3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
(3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 507.34 g/mol, XLogP of 6.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 70311908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).