ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate

C28H23Cl2NO4 — CID 53381092

IUPACethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate
SMILESCCOC(=O)N1C(=O)C2(c3ccccc31)[C@@H](c1ccc(Cl)cc1)CC(=O)C[C@@H]2c1ccc(Cl)cc1
InChIInChI=1S/C28H23Cl2NO4/c1-2-35-27(34)31-25-6-4-3-5-22(25)28(26(31)33)23(17-7-11-19(29)12-8-17)15-21(32)16-24(28)18-9-13-20(30)14-10-18/h3-14,23-24H,2,15-16H2,1H3/t23-,24-/m1/s1
InChIKeyUNYIQNOXFCLUBB-DNQXCXABSA-N
MW508.40 g/mol
LogP6.66
Rot. Bonds3

About ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate

ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate (PubChem CID 53381092) has the molecular formula C28H23Cl2NO4 and a molecular weight of 508.40 g/mol. Its IUPAC name is ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate.

Molecular Properties

Compound Nameethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate
PubChem CID53381092
Molecular FormulaC28H23Cl2NO4
Molecular Weight508.40 g/mol
Exact Mass507.10
IUPAC Nameethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate
SMILESCCOC(=O)N1C(=O)C2(c3ccccc31)[C@@H](c1ccc(Cl)cc1)CC(=O)C[C@@H]2c1ccc(Cl)cc1
InChIInChI=1S/C28H23Cl2NO4/c1-2-35-27(34)31-25-6-4-3-5-22(25)28(26(31)33)23(17-7-11-19(29)12-8-17)15-21(32)16-24(28)18-9-13-20(30)14-10-18/h3-14,23-24H,2,15-16H2,1H3/t23-,24-/m1/s1
InChIKeyUNYIQNOXFCLUBB-DNQXCXABSA-N
XLogP6.66
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.40
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

ethyl (2S,6S)-2',4-dioxo-2,6-diphenylspiro[cyclohexane-1,3'-indole]-1'-carboxylate
CID 177422501
ethyl 6-chloro-4'-(3-chlorophenyl)-2'-(4-chlorophenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-1-carboxylate
CID 90943590
ethyl (1S,2S,6S)-2-(4-chlorophenyl)-1-cyano-4-oxo-6-phenylcyclohexane-1-carboxylate
CID 102597373
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
1-O'-tert-butyl 7-O-ethyl (5S,6R,7R)-2',3-dioxo-5-phenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,3'-indole]-1',7-dicarboxylate
CID 102431276
ethyl (4S,5R,6S)-1'-acetyl-2-hydroxy-4-(4-nitrophenyl)-2'-oxo-6-phenylspiro[cyclohexene-5,3'-indole]-1-carboxylate
CID 54750060
11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone
CID 11741483
ethyl (1S,3R,9bS)-1-(4-chlorophenyl)-3-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolo[2,1-a]isoindole-9b-carboxylate
CID 122386018
1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 141220681
ethyl 1-(2-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-diazaspiro[4.5]decane-3-carboxylate
CID 4032236
diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 6933747
tert-butyl (1S,2R,3S)-2-nitro-2'-oxo-3-phenylspiro[cyclopropane-1,3'-indole]-1'-carboxylate
CID 102292363

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate?
The IUPAC name of ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate (CID 53381092) is ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate.
What is the SMILES notation for ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate?
The canonical SMILES for ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate is CCOC(=O)N1C(=O)C2(c3ccccc31)[C@@H](c1ccc(Cl)cc1)CC(=O)C[C@@H]2c1ccc(Cl)cc1.
What is the InChIKey of ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate?
The InChIKey is UNYIQNOXFCLUBB-DNQXCXABSA-N. The full InChI is InChI=1S/C28H23Cl2NO4/c1-2-35-27(34)31-25-6-4-3-5-22(25)28(26(31)33)23(17-7-11-19(29)12-8-17)15-21(32)16-24(28)18-9-13-20(30)14-10-18/h3-14,23-24H,2,15-16H2,1H3/t23-,24-/m1/s1.
What are the key properties of ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate?
ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate has a molecular weight of 508.40 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate is sourced from PubChem (CID 53381092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).