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

C18H17Cl2N3O — CID 162648657

IUPAC(3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-5'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESC[C@@H]1N[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2cccc(Cl)c2)[C@@H]1N
InChIInChI=1S/C18H17Cl2N3O/c1-9-16(21)15(10-3-2-4-11(19)7-10)18(23-9)13-6-5-12(20)8-14(13)22-17(18)24/h2-9,15-16,23H,21H2,1H3,(H,22,24)/t9-,15-,16+,18+/m0/s1
InChIKeySIBWXLFZRLGXIC-DKXRMMRFSA-N
MW362.26 g/mol
LogP3.24
Rot. Bonds1

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

(3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-5'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one (PubChem CID 162648657) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is (3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-5'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-5'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one
PubChem CID162648657
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name(3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-5'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESC[C@@H]1N[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2cccc(Cl)c2)[C@@H]1N
InChIInChI=1S/C18H17Cl2N3O/c1-9-16(21)15(10-3-2-4-11(19)7-10)18(23-9)13-6-5-12(20)8-14(13)22-17(18)24/h2-9,15-16,23H,21H2,1H3,(H,22,24)/t9-,15-,16+,18+/m0/s1
InChIKeySIBWXLFZRLGXIC-DKXRMMRFSA-N
XLogP3.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-5'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one with MolForge

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Related Compounds

3-[(2'S,3S,3'S,4'S)-6-chloro-4'-(3-chlorophenyl)-3'-nitro-2-oxospiro[1H-indole-3,5'-pyrrolidine]-2'-yl]propanoic acid
CID 162646732
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
(3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 67212969
(3S,3'S,4'S,5'R)-4'-amino-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(hydroxymethyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one;(3S,3'S,4'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(hydroxymethyl)-4'-nitrospiro[1H-indole-3,2'-pyrrolidine]-2-one;methane
CID 157384701
(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 24875700
(3S,6'S)-6-chloro-6'-(3-chlorophenyl)-3'-methyl-4'-(6-methylcyclohexa-1,3-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538414
6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 67212911
(3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 24994219
6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 66625042
6-chloro-6'-(3-chlorophenyl)-4'-phenylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 131727313
(1S,3S,3aR,6aS)-5-tert-butyl-5'-chloro-1-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 7641578
methyl 4-amino-3-[2-[(2'S,3S,3'S,4'S)-3'-amino-6-chloro-4'-(3-chloro-2-fluorophenyl)-2-oxospiro[1H-indole-3,5'-pyrrolidine]-2'-yl]acetyl]benzoate
CID 129271285

Frequently Asked Questions

What is the IUPAC name of (3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-5'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of (3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-5'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one (CID 162648657) is (3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-5'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for (3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-5'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for (3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-5'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one is C[C@@H]1N[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2cccc(Cl)c2)[C@@H]1N.
What is the InChIKey of (3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-5'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The InChIKey is SIBWXLFZRLGXIC-DKXRMMRFSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-9-16(21)15(10-3-2-4-11(19)7-10)18(23-9)13-6-5-12(20)8-14(13)22-17(18)24/h2-9,15-16,23H,21H2,1H3,(H,22,24)/t9-,15-,16+,18+/m0/s1.
What are the key properties of (3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-5'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
(3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-5'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one has a molecular weight of 362.26 g/mol, XLogP of 3.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-5'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 162648657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).