(4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one

C30H21Cl3N2O2 — CID 171935805

IUPAC(4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESO=C(c1ccc(Cl)cc1)C1[C@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)NC12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C30H21Cl3N2O2/c31-20-10-6-17(7-11-20)25-26(28(36)19-8-12-21(32)13-9-19)30(35-27(25)18-4-2-1-3-5-18)23-16-22(33)14-15-24(23)34-29(30)37/h1-16,25-27,35H,(H,34,37)/t25-,26?,27+,30?/m0/s1
InChIKeyYIAZDNGVTQTOBN-SHEIGVEKSA-N
MW547.87 g/mol
LogP7.42
Rot. Bonds4

About (4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one

(4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one (PubChem CID 171935805) has the molecular formula C30H21Cl3N2O2 and a molecular weight of 547.87 g/mol. Its IUPAC name is (4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
PubChem CID171935805
Molecular FormulaC30H21Cl3N2O2
Molecular Weight547.87 g/mol
Exact Mass546.07
IUPAC Name(4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESO=C(c1ccc(Cl)cc1)C1[C@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)NC12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C30H21Cl3N2O2/c31-20-10-6-17(7-11-20)25-26(28(36)19-8-12-21(32)13-9-19)30(35-27(25)18-4-2-1-3-5-18)23-16-22(33)14-15-24(23)34-29(30)37/h1-16,25-27,35H,(H,34,37)/t25-,26?,27+,30?/m0/s1
InChIKeyYIAZDNGVTQTOBN-SHEIGVEKSA-N
XLogP7.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.87
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4'R,5'S)-5-bromo-3'-(4-chlorobenzoyl)-4'-(4-methylphenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 172915062
(4'R,5'S)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 175663546
(4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(2-methoxyphenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 175663536
(4'R,5'S)-3'-(4-chlorobenzoyl)-4'-(4-ethoxyphenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 171935819
3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 4667392
(3R,3'S,4'S,5'R)-3'-benzoyl-5'-(2-methylpropyl)-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 51668742
(1R,3R,3aS,6aS)-5-(4-chlorophenyl)-1-phenylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 124791490
6'-(4-chlorobenzoyl)spiro[1H-indole-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 5311574
CID 132605390
CID 132605390
4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)-5'-(2-methylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 171343450
(3S)-5-chloro-3-hydroxy-3-[(2S)-1-oxo-1-phenylpropan-2-yl]-1H-indol-2-one
CID 957683
5-chloro-6'-(4-fluorobenzoyl)spiro[1H-indole-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 4974515

Frequently Asked Questions

What is the IUPAC name of (4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of (4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one (CID 171935805) is (4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for (4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for (4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one is O=C(c1ccc(Cl)cc1)C1[C@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)NC12C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of (4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The InChIKey is YIAZDNGVTQTOBN-SHEIGVEKSA-N. The full InChI is InChI=1S/C30H21Cl3N2O2/c31-20-10-6-17(7-11-20)25-26(28(36)19-8-12-21(32)13-9-19)30(35-27(25)18-4-2-1-3-5-18)23-16-22(33)14-15-24(23)34-29(30)37/h1-16,25-27,35H,(H,34,37)/t25-,26?,27+,30?/m0/s1.
What are the key properties of (4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
(4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one has a molecular weight of 547.87 g/mol, XLogP of 7.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 171935805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).