ethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate

C30H26Cl3FN2O5 — CID 76568099

IUPACethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1C1CC(=O)NC(c2cc(Cl)ccc2F)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C30H26Cl3FN2O5/c1-4-40-28(39)29(2,3)41-24-10-7-16(32)11-18(24)21-14-25(37)36-26(19-12-15(31)6-9-22(19)34)30(21)20-8-5-17(33)13-23(20)35-27(30)38/h5-13,21,26H,4,14H2,1-3H3,(H,35,38)(H,36,37)
InChIKeyVIAQRDRHDBTBAP-UHFFFAOYSA-N
MW619.90 g/mol
LogP6.74
Rot. Bonds6

About ethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate

ethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate (PubChem CID 76568099) has the molecular formula C30H26Cl3FN2O5 and a molecular weight of 619.90 g/mol. Its IUPAC name is ethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate
PubChem CID76568099
Molecular FormulaC30H26Cl3FN2O5
Molecular Weight619.90 g/mol
Exact Mass618.09
IUPAC Nameethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1C1CC(=O)NC(c2cc(Cl)ccc2F)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C30H26Cl3FN2O5/c1-4-40-28(39)29(2,3)41-24-10-7-16(32)11-18(24)21-14-25(37)36-26(19-12-15(31)6-9-22(19)34)30(21)20-8-5-17(33)13-23(20)35-27(30)38/h5-13,21,26H,4,14H2,1-3H3,(H,35,38)(H,36,37)
InChIKeyVIAQRDRHDBTBAP-UHFFFAOYSA-N
XLogP6.74
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.90
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate with MolForge

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Related Compounds

methyl 2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]phenoxy]-2-methylpropanoate
CID 135026001
2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoic acid
CID 76568015
methyl 2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethylbutanoate
CID 59428095
2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methyl-N-methylsulfonylpropanamide
CID 143823349
2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-(2-formamidoethyl)-2-methylpropanamide
CID 143823448
methyl 2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]-5-fluorophenoxy]-2-methylpropanoate
CID 59549300
methyl 2-[2-[6-bromo-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]-4-chlorophenoxy]-2-ethylbutanoate
CID 86632101
2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-methylsulfonyl-2-propylpentanamide
CID 74928691
(3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143819896
6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 76568037
3-[4-bromo-2-[6-chloro-4'-(5-chloro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]phenoxy]-2,2-dimethylpropanoic acid
CID 76567999
methyl 2-[2-[(2'S,3S,4'R)-1-acetyl-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-4'-yl]-4-chlorophenoxy]-2-methylpropanoate
CID 59419604

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate (CID 76568099) is ethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1C1CC(=O)NC(c2cc(Cl)ccc2F)C12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of ethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate?
The InChIKey is VIAQRDRHDBTBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl3FN2O5/c1-4-40-28(39)29(2,3)41-24-10-7-16(32)11-18(24)21-14-25(37)36-26(19-12-15(31)6-9-22(19)34)30(21)20-8-5-17(33)13-23(20)35-27(30)38/h5-13,21,26H,4,14H2,1-3H3,(H,35,38)(H,36,37).
What are the key properties of ethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate?
ethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate has a molecular weight of 619.90 g/mol, XLogP of 6.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-chloro-2-[6-chloro-2'-(5-chloro-2-fluorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 76568099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).