(3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione

C25H17BrClF3N2O3 — CID 143820044

IUPAC(3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESO=C1CC[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C25H17BrClF3N2O3/c26-14-3-8-20(35-16-5-1-13(2-6-16)25(28,29)30)17(11-14)22-24(10-9-21(33)32-22)18-7-4-15(27)12-19(18)31-23(24)34/h1-8,11-12,22H,9-10H2,(H,31,34)(H,32,33)/t22-,24-/m1/s1
InChIKeyQCDVEAIQAINLNZ-ISKFKSNPSA-N
MW565.77 g/mol
LogP6.75
Rot. Bonds3

About (3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione

(3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 143820044) has the molecular formula C25H17BrClF3N2O3 and a molecular weight of 565.77 g/mol. Its IUPAC name is (3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name(3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID143820044
Molecular FormulaC25H17BrClF3N2O3
Molecular Weight565.77 g/mol
Exact Mass564.01
IUPAC Name(3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESO=C1CC[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C25H17BrClF3N2O3/c26-14-3-8-20(35-16-5-1-13(2-6-16)25(28,29)30)17(11-14)22-24(10-9-21(33)32-22)18-7-4-15(27)12-19(18)31-23(24)34/h1-8,11-12,22H,9-10H2,(H,31,34)(H,32,33)/t22-,24-/m1/s1
InChIKeyQCDVEAIQAINLNZ-ISKFKSNPSA-N
XLogP6.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.77
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione;chlorobenzene
CID 143820043
(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,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538298
4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 76568133
chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538505
(3R,6'S)-6'-[3-bromo-2-fluoro-6-(2-hydroxyethoxy)phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione;chlorobenzene
CID 143538231
(3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane
CID 143819943
chlorobenzene;(3R,6'R)-6-chloro-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538330
(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
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
4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide
CID 143820078
(3R,4'S,6'R)-6-chloro-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]-4'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 70999497

Frequently Asked Questions

What is the IUPAC name of (3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of (3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 143820044) is (3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for (3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for (3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione is O=C1CC[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2)N1.
What is the InChIKey of (3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is QCDVEAIQAINLNZ-ISKFKSNPSA-N. The full InChI is InChI=1S/C25H17BrClF3N2O3/c26-14-3-8-20(35-16-5-1-13(2-6-16)25(28,29)30)17(11-14)22-24(10-9-21(33)32-22)18-7-4-15(27)12-19(18)31-23(24)34/h1-8,11-12,22H,9-10H2,(H,31,34)(H,32,33)/t22-,24-/m1/s1.
What are the key properties of (3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione?
(3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 565.77 g/mol, XLogP of 6.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 143820044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).