4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

C26H17BrCl3F3N2O3 — CID 76568133

IUPAC4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESO=C1CC(c2cc(Br)ccc2OCC(F)(F)F)C2(C(=O)Nc3cc(Cl)ccc32)C(c2cc(Cl)ccc2Cl)N1
InChIInChI=1S/C26H17BrCl3F3N2O3/c27-12-1-6-21(38-11-25(31,32)33)15(7-12)18-10-22(36)35-23(16-8-13(28)3-5-19(16)30)26(18)17-4-2-14(29)9-20(17)34-24(26)37/h1-9,18,23H,10-11H2,(H,34,37)(H,35,36)
InChIKeySWMRWPIWKAFBFP-UHFFFAOYSA-N
MW648.69 g/mol
LogP7.59
Rot. Bonds4

About 4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 76568133) has the molecular formula C26H17BrCl3F3N2O3 and a molecular weight of 648.69 g/mol. Its IUPAC name is 4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID76568133
Molecular FormulaC26H17BrCl3F3N2O3
Molecular Weight648.69 g/mol
Exact Mass645.94
IUPAC Name4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESO=C1CC(c2cc(Br)ccc2OCC(F)(F)F)C2(C(=O)Nc3cc(Cl)ccc32)C(c2cc(Cl)ccc2Cl)N1
InChIInChI=1S/C26H17BrCl3F3N2O3/c27-12-1-6-21(38-11-25(31,32)33)15(7-12)18-10-22(36)35-23(16-8-13(28)3-5-19(16)30)26(18)17-4-2-14(29)9-20(17)34-24(26)37/h1-9,18,23H,10-11H2,(H,34,37)(H,35,36)
InChIKeySWMRWPIWKAFBFP-UHFFFAOYSA-N
XLogP7.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.69
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione with MolForge

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Related Compounds

3-[4-bromo-2-[6-chloro-4'-(5-chloro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]phenoxy]-2,2-dimethylpropanoic acid
CID 76567999
6'-[5-bromo-2-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 76568180
(3R,4'S,6'S)-6'-(5-bromo-2-iodophenyl)-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 70999482
methyl 2-[2-[6-bromo-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]-4-chlorophenoxy]-2-ethylbutanoate
CID 86632101
ethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate
CID 76568099
4'-[2-(1-acetylpiperidin-4-yl)oxy-5-bromophenyl]-6-chloro-6'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 77285149
(3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958160
(3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143820044
(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
2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoic acid
CID 76568015
(3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione;chlorobenzene
CID 143820043
methyl 2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethylbutanoate
CID 59428095

Frequently Asked Questions

What is the IUPAC name of 4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of 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) is 4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for 4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for 4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is O=C1CC(c2cc(Br)ccc2OCC(F)(F)F)C2(C(=O)Nc3cc(Cl)ccc32)C(c2cc(Cl)ccc2Cl)N1.
What is the InChIKey of 4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is SWMRWPIWKAFBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrCl3F3N2O3/c27-12-1-6-21(38-11-25(31,32)33)15(7-12)18-10-22(36)35-23(16-8-13(28)3-5-19(16)30)26(18)17-4-2-14(29)9-20(17)34-24(26)37/h1-9,18,23H,10-11H2,(H,34,37)(H,35,36).
What are the key properties of 4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 648.69 g/mol, XLogP of 7.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]-6-chloro-6'-(2,5-dichlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 76568133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).