(3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one

C18H13Cl2FN2O — CID 58254299

IUPAC(3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one
SMILESCC1N=C[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
InChIInChI=1S/C18H13Cl2FN2O/c1-9-18(13(8-22-9)10-3-2-4-11(19)5-10)12-6-15(21)14(20)7-16(12)23-17(18)24/h2-9,13H,1H3,(H,23,24)/t9?,13-,18-/m1/s1
InChIKeyXIJSRDUIASXLGW-FYDREZCWSA-N
MW363.22 g/mol
LogP4.58
Rot. Bonds1

About (3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one

(3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one (PubChem CID 58254299) has the molecular formula C18H13Cl2FN2O and a molecular weight of 363.22 g/mol. Its IUPAC name is (3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one.

Molecular Properties

Compound Name(3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one
PubChem CID58254299
Molecular FormulaC18H13Cl2FN2O
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC Name(3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one
SMILESCC1N=C[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
InChIInChI=1S/C18H13Cl2FN2O/c1-9-18(13(8-22-9)10-3-2-4-11(19)5-10)12-6-15(21)14(20)7-16(12)23-17(18)24/h2-9,13H,1H3,(H,23,24)/t9?,13-,18-/m1/s1
InChIKeyXIJSRDUIASXLGW-FYDREZCWSA-N
XLogP4.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2'R,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluorospiro[1H-indole-3,3'-2,4-dihydropyrrol-1-ium]-2-one
CID 140662308
(2'R,3R,3'R,5'S)-6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 69498011
(2'R,3R,3'R,5'S)-5'-tert-butyl-6-chloro-3'-(3-chlorophenyl)-5-fluoro-N-(4-hydroxybutyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 144664031
(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-(5-hydroxypentyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 70308633
6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-(3-hydroxypropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 58254358
6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-1'-hydroxy-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;methane
CID 158159563
ethyl (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate;2,2,2-trifluoroacetic acid
CID 159692745
(2'R,3S,3'R)-6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(1S,3R)-3-hydroxycyclopentyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 163993968
N-(4-aminocyclohexyl)-6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 75966646
6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxo-N-[(E)-4-oxobut-1-enyl]spiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 123927101
(3R,4'R)-3'-tert-butyl-6-chloro-4'-(3-chlorophenyl)-5-fluoro-1'-phenylspiro[1H-indole-3,5'-4H-pyrazole]-2-one
CID 162646184
(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(4-hydroxycyclohexyl)methyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 148767604

Frequently Asked Questions

What is the IUPAC name of (3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one?
The IUPAC name of (3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one (CID 58254299) is (3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one.
What is the SMILES notation for (3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one?
The canonical SMILES for (3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one is CC1N=C[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.
What is the InChIKey of (3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one?
The InChIKey is XIJSRDUIASXLGW-FYDREZCWSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O/c1-9-18(13(8-22-9)10-3-2-4-11(19)5-10)12-6-15(21)14(20)7-16(12)23-17(18)24/h2-9,13H,1H3,(H,23,24)/t9?,13-,18-/m1/s1.
What are the key properties of (3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one?
(3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one has a molecular weight of 363.22 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4'R)-6-chloro-4'-(3-chlorophenyl)-5-fluoro-2'-methylspiro[1H-indole-3,3'-2,4-dihydropyrrole]-2-one is sourced from PubChem (CID 58254299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).