methyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate

C25H20Cl2N2O3 — CID 45490042

IUPACmethyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
SMILESCOC(=O)[C@@H]1N[C@H](c2cccc(Cl)c2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]1c1ccccc1
InChIInChI=1S/C25H20Cl2N2O3/c1-32-23(30)21-19(14-8-3-2-4-9-14)25(16-11-5-6-13-18(16)28-24(25)31)22(29-21)15-10-7-12-17(26)20(15)27/h2-13,19,21-22,29H,1H3,(H,28,31)/t19-,21+,22+,25+/m0/s1
InChIKeyPAGTVEWQLNESRD-SCIUHPPWSA-N
MW467.35 g/mol
LogP4.85
Rot. Bonds3

About methyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate

methyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate (PubChem CID 45490042) has the molecular formula C25H20Cl2N2O3 and a molecular weight of 467.35 g/mol. Its IUPAC name is methyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate.

Molecular Properties

Compound Namemethyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
PubChem CID45490042
Molecular FormulaC25H20Cl2N2O3
Molecular Weight467.35 g/mol
Exact Mass466.09
IUPAC Namemethyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
SMILESCOC(=O)[C@@H]1N[C@H](c2cccc(Cl)c2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]1c1ccccc1
InChIInChI=1S/C25H20Cl2N2O3/c1-32-23(30)21-19(14-8-3-2-4-9-14)25(16-11-5-6-13-18(16)28-24(25)31)22(29-21)15-10-7-12-17(26)20(15)27/h2-13,19,21-22,29H,1H3,(H,28,31)/t19-,21+,22+,25+/m0/s1
InChIKeyPAGTVEWQLNESRD-SCIUHPPWSA-N
XLogP4.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.35
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate with MolForge

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Related Compounds

methyl (2'R,3S,3'R,5'R)-5'-(4-bromophenyl)-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 45490057
methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 162648038
3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 66632823
1'-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 141183541
4-O,4-O'-diethyl 2-O-methyl (2S,3S,5S)-3-(4-chlorophenyl)-5-phenylpyrrolidine-2,4,4-tricarboxylate
CID 102132887
tert-butyl (2'S,3R,3'S,5'S)-5'-(5-bromofuran-2-yl)-3'-[4-(4-methoxy-4-oxobutoxy)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 177493399
CID 72734833
CID 72734833
methyl (6R,8S,9S)-6-(2,3-dichlorophenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
CID 1094461
methyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate
CID 101085570
2-O'-ethyl 3-O'-methyl (2'S,3R,3'S,5'S)-5'-(2,2-diphenylethenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2',3'-dicarboxylate
CID 23245822
tert-butyl (2'R,3R,3'S,5'S)-6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 66625211
1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 141183576

Frequently Asked Questions

What is the IUPAC name of methyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
The IUPAC name of methyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate (CID 45490042) is methyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate.
What is the SMILES notation for methyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
The canonical SMILES for methyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate is COC(=O)[C@@H]1N[C@H](c2cccc(Cl)c2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]1c1ccccc1.
What is the InChIKey of methyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
The InChIKey is PAGTVEWQLNESRD-SCIUHPPWSA-N. The full InChI is InChI=1S/C25H20Cl2N2O3/c1-32-23(30)21-19(14-8-3-2-4-9-14)25(16-11-5-6-13-18(16)28-24(25)31)22(29-21)15-10-7-12-17(26)20(15)27/h2-13,19,21-22,29H,1H3,(H,28,31)/t19-,21+,22+,25+/m0/s1.
What are the key properties of methyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate?
methyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate has a molecular weight of 467.35 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate is sourced from PubChem (CID 45490042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).