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

C30H22BrClN2O2 — CID 175663546

IUPAC(4'R,5'S)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESO=C(c1ccc(Cl)cc1)C1[C@H](c2ccc(Br)cc2)[C@@H](c2ccccc2)NC12C(=O)Nc1ccccc12
InChIInChI=1S/C30H22BrClN2O2/c31-21-14-10-18(11-15-21)25-26(28(35)20-12-16-22(32)17-13-20)30(34-27(25)19-6-2-1-3-7-19)23-8-4-5-9-24(23)33-29(30)36/h1-17,25-27,34H,(H,33,36)/t25-,26?,27+,30?/m0/s1
InChIKeyLURKHKQAGQPHFT-SHEIGVEKSA-N
MW557.88 g/mol
LogP6.88
Rot. Bonds4

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

(4'R,5'S)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one (PubChem CID 175663546) has the molecular formula C30H22BrClN2O2 and a molecular weight of 557.88 g/mol. Its IUPAC name is (4'R,5'S)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(4'R,5'S)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
PubChem CID175663546
Molecular FormulaC30H22BrClN2O2
Molecular Weight557.88 g/mol
Exact Mass556.06
IUPAC Name(4'R,5'S)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESO=C(c1ccc(Cl)cc1)C1[C@H](c2ccc(Br)cc2)[C@@H](c2ccccc2)NC12C(=O)Nc1ccccc12
InChIInChI=1S/C30H22BrClN2O2/c31-21-14-10-18(11-15-21)25-26(28(35)20-12-16-22(32)17-13-20)30(34-27(25)19-6-2-1-3-7-19)23-8-4-5-9-24(23)33-29(30)36/h1-17,25-27,34H,(H,33,36)/t25-,26?,27+,30?/m0/s1
InChIKeyLURKHKQAGQPHFT-SHEIGVEKSA-N
XLogP6.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.88
LogP ≤ 56.88
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)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 171935805
(4'R,5'S)-3'-(4-chlorobenzoyl)-4'-(4-ethoxyphenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 171935819
(4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(2-methoxyphenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 175663536
4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)-5'-(2-methylpropyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 171343450
(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
3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 4667392
3'-benzoyl-1'-(4-bromobenzoyl)-7'-chlorospiro[1H-indole-3,2'-3,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 75120829
6'-(4-chlorobenzoyl)spiro[1H-indole-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 5311574
(1'S,2'S,3S,3'aR)-2'-benzoyl-1'-(4-bromobenzoyl)-7'-chlorospiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98165886
CID 132605390
CID 132605390

Frequently Asked Questions

What is the IUPAC name of (4'R,5'S)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of (4'R,5'S)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one (CID 175663546) is (4'R,5'S)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for (4'R,5'S)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for (4'R,5'S)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one is O=C(c1ccc(Cl)cc1)C1[C@H](c2ccc(Br)cc2)[C@@H](c2ccccc2)NC12C(=O)Nc1ccccc12.
What is the InChIKey of (4'R,5'S)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The InChIKey is LURKHKQAGQPHFT-SHEIGVEKSA-N. The full InChI is InChI=1S/C30H22BrClN2O2/c31-21-14-10-18(11-15-21)25-26(28(35)20-12-16-22(32)17-13-20)30(34-27(25)19-6-2-1-3-7-19)23-8-4-5-9-24(23)33-29(30)36/h1-17,25-27,34H,(H,33,36)/t25-,26?,27+,30?/m0/s1.
What are the key properties of (4'R,5'S)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
(4'R,5'S)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one has a molecular weight of 557.88 g/mol, XLogP of 6.88, 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)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 175663546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).