3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one

C32H24BrClN2O3 — CID 4667392

IUPAC3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCC1C(c2ccccc2)C(C(=O)c2ccccc2)C2(C(=O)Nc3ccc(Br)cc32)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C32H24BrClN2O3/c1-19-27(20-8-4-2-5-9-20)28(29(37)21-10-6-3-7-11-21)32(25-18-23(33)14-17-26(25)35-31(32)39)36(19)30(38)22-12-15-24(34)16-13-22/h2-19,27-28H,1H3,(H,35,39)
InChIKeyBFUYEPZSYKQBDE-UHFFFAOYSA-N
MW599.91 g/mol
LogP7.08
Rot. Bonds4

About 3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one

3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one (PubChem CID 4667392) has the molecular formula C32H24BrClN2O3 and a molecular weight of 599.91 g/mol. Its IUPAC name is 3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
PubChem CID4667392
Molecular FormulaC32H24BrClN2O3
Molecular Weight599.91 g/mol
Exact Mass598.07
IUPAC Name3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCC1C(c2ccccc2)C(C(=O)c2ccccc2)C2(C(=O)Nc3ccc(Br)cc32)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C32H24BrClN2O3/c1-19-27(20-8-4-2-5-9-20)28(29(37)21-10-6-3-7-11-21)32(25-18-23(33)14-17-26(25)35-31(32)39)36(19)30(38)22-12-15-24(34)16-13-22/h2-19,27-28H,1H3,(H,35,39)
InChIKeyBFUYEPZSYKQBDE-UHFFFAOYSA-N
XLogP7.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.91
LogP ≤ 57.08
H-Bond Donors ≤ 51
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
3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 4519823
(4'R,5'S)-5-chloro-3'-(4-chlorobenzoyl)-4'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 171935805
6'-benzoyl-5-methyl-7'-phenylspiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 4886448
6-(3-bromobenzoyl)-7-phenylspiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one
CID 154732412
7'-(4-chlorophenyl)-5-methyl-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 4891388
(3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 29056886
CID 95371339
CID 95371339
(6R,7S)-6-benzoyl-7-phenylspiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one
CID 122396813
7'-(4-chlorophenyl)-5-fluoro-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 4893561
(3S,6'S,7'R,7'aR)-7'-(4-chlorophenyl)-5-fluoro-6'-(pyridine-3-carbonyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 29021249

Frequently Asked Questions

What is the IUPAC name of 3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of 3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one (CID 4667392) is 3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for 3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for 3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one is CC1C(c2ccccc2)C(C(=O)c2ccccc2)C2(C(=O)Nc3ccc(Br)cc32)N1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The InChIKey is BFUYEPZSYKQBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24BrClN2O3/c1-19-27(20-8-4-2-5-9-20)28(29(37)21-10-6-3-7-11-21)32(25-18-23(33)14-17-26(25)35-31(32)39)36(19)30(38)22-12-15-24(34)16-13-22/h2-19,27-28H,1H3,(H,35,39).
What are the key properties of 3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one has a molecular weight of 599.91 g/mol, XLogP of 7.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 4667392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).