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

C22H25Cl2N3O — CID 122198471

IUPAC(3S,3'S,4'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCC(C)(C)CN1C[C@@H](N)[C@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C22H25Cl2N3O/c1-21(2,3)12-27-11-17(25)19(13-5-4-6-14(23)9-13)22(27)16-8-7-15(24)10-18(16)26-20(22)28/h4-10,17,19H,11-12,25H2,1-3H3,(H,26,28)/t17-,19+,22-/m1/s1
InChIKeyCWDGHXCEKKZGEC-ZWCUEREDSA-N
MW418.37 g/mol
LogP4.61
Rot. Bonds2

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

(3S,3'S,4'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one (PubChem CID 122198471) has the molecular formula C22H25Cl2N3O and a molecular weight of 418.37 g/mol. Its IUPAC name is (3S,3'S,4'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S,3'S,4'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
PubChem CID122198471
Molecular FormulaC22H25Cl2N3O
Molecular Weight418.37 g/mol
Exact Mass417.14
IUPAC Name(3S,3'S,4'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCC(C)(C)CN1C[C@@H](N)[C@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C22H25Cl2N3O/c1-21(2,3)12-27-11-17(25)19(13-5-4-6-14(23)9-13)22(27)16-8-7-15(24)10-18(16)26-20(22)28/h4-10,17,19H,11-12,25H2,1-3H3,(H,26,28)/t17-,19+,22-/m1/s1
InChIKeyCWDGHXCEKKZGEC-ZWCUEREDSA-N
XLogP4.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,3'S,4'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of (3S,3'S,4'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one (CID 122198471) is (3S,3'S,4'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for (3S,3'S,4'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for (3S,3'S,4'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one is CC(C)(C)CN1C[C@@H](N)[C@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of (3S,3'S,4'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The InChIKey is CWDGHXCEKKZGEC-ZWCUEREDSA-N. The full InChI is InChI=1S/C22H25Cl2N3O/c1-21(2,3)12-27-11-17(25)19(13-5-4-6-14(23)9-13)22(27)16-8-7-15(24)10-18(16)26-20(22)28/h4-10,17,19H,11-12,25H2,1-3H3,(H,26,28)/t17-,19+,22-/m1/s1.
What are the key properties of (3S,3'S,4'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
(3S,3'S,4'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one has a molecular weight of 418.37 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3'S,4'S)-4'-amino-6-chloro-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 122198471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).