ethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate

C27H21Cl3N2O4 — CID 90943590

IUPACethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate
SMILESCCOC(=O)N1C(=O)C2(c3ccc(Cl)cc31)C(c1cccc(Cl)c1)CC(=O)NC2c1ccc(Cl)cc1
InChIInChI=1S/C27H21Cl3N2O4/c1-2-36-26(35)32-22-13-19(30)10-11-20(22)27(25(32)34)21(16-4-3-5-18(29)12-16)14-23(33)31-24(27)15-6-8-17(28)9-7-15/h3-13,21,24H,2,14H2,1H3,(H,31,33)
InChIKeySXNYZFDKJMBMRR-UHFFFAOYSA-N
MW543.83 g/mol
LogP6.43
Rot. Bonds3

About ethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate

ethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate (PubChem CID 90943590) has the molecular formula C27H21Cl3N2O4 and a molecular weight of 543.83 g/mol. Its IUPAC name is ethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate
PubChem CID90943590
Molecular FormulaC27H21Cl3N2O4
Molecular Weight543.83 g/mol
Exact Mass542.06
IUPAC Nameethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate
SMILESCCOC(=O)N1C(=O)C2(c3ccc(Cl)cc31)C(c1cccc(Cl)c1)CC(=O)NC2c1ccc(Cl)cc1
InChIInChI=1S/C27H21Cl3N2O4/c1-2-36-26(35)32-22-13-19(30)10-11-20(22)27(25(32)34)21(16-4-3-5-18(29)12-16)14-23(33)31-24(27)15-6-8-17(28)9-7-15/h3-13,21,24H,2,14H2,1H3,(H,31,33)
InChIKeySXNYZFDKJMBMRR-UHFFFAOYSA-N
XLogP6.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.83
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate with MolForge

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Related Compounds

ethyl (2'R,3R,4'S)-2'-(2-bromophenyl)-6-chloro-4'-(3-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate
CID 68959456
tert-butyl 4'-(3-chlorophenyl)-6-cyclopropyl-2'-(1-ethylcyclopropyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate
CID 76568006
ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate
CID 53381092
propyl 6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate
CID 75233052
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958392
(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 173488512
6-bromo-4'-(3-chlorophenyl)-2,6'-dioxo-2'-prop-1-en-2-ylspiro[indole-3,3'-piperidine]-1-carboxylic acid
CID 142696776
6-chloro-6'-(3-chlorophenyl)-4'-phenylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 131727313
2-methylpropyl (2'S,3S,4'R)-6-chloro-4'-[5-chloro-2-[3-(methylsulfonylcarbamoyl)pentan-3-yloxy]phenyl]-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate
CID 46853126
ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360299
ethyl (2S,6S)-2',4-dioxo-2,6-diphenylspiro[cyclohexane-1,3'-indole]-1'-carboxylate
CID 177422501
1-[4-chloro-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]phenoxy]-N-ethylpyrrolidine-3-carboxamide
CID 67362142

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate?
The IUPAC name of ethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate (CID 90943590) is ethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate?
The canonical SMILES for ethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate is CCOC(=O)N1C(=O)C2(c3ccc(Cl)cc31)C(c1cccc(Cl)c1)CC(=O)NC2c1ccc(Cl)cc1.
What is the InChIKey of ethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate?
The InChIKey is SXNYZFDKJMBMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Cl3N2O4/c1-2-36-26(35)32-22-13-19(30)10-11-20(22)27(25(32)34)21(16-4-3-5-18(29)12-16)14-23(33)31-24(27)15-6-8-17(28)9-7-15/h3-13,21,24H,2,14H2,1H3,(H,31,33).
What are the key properties of ethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate?
ethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate has a molecular weight of 543.83 g/mol, XLogP of 6.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate is sourced from PubChem (CID 90943590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).