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

C30H26Cl2F2N2O5 — CID 59549300

IUPACmethyl 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
SMILESCOC(=O)C(C)(C)Oc1cc(F)c(Cl)cc1[C@H]1CC(=O)N[C@@H](c2cc(F)ccc2C)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C30H26Cl2F2N2O5/c1-14-5-7-16(33)10-17(14)26-30(19-8-6-15(31)9-23(19)35-27(30)38)20(12-25(37)36-26)18-11-21(32)22(34)13-24(18)41-29(2,3)28(39)40-4/h5-11,13,20,26H,12H2,1-4H3,(H,35,38)(H,36,37)/t20-,26+,30-/m1/s1
InChIKeyKWWLBJJFAJQYNZ-APLQCPMFSA-N
MW603.45 g/mol
LogP6.15
Rot. Bonds5

About 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

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 (PubChem CID 59549300) has the molecular formula C30H26Cl2F2N2O5 and a molecular weight of 603.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID59549300
Molecular FormulaC30H26Cl2F2N2O5
Molecular Weight603.45 g/mol
Exact Mass602.12
IUPAC Namemethyl 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
SMILESCOC(=O)C(C)(C)Oc1cc(F)c(Cl)cc1[C@H]1CC(=O)N[C@@H](c2cc(F)ccc2C)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C30H26Cl2F2N2O5/c1-14-5-7-16(33)10-17(14)26-30(19-8-6-15(31)9-23(19)35-27(30)38)20(12-25(37)36-26)18-11-21(32)22(34)13-24(18)41-29(2,3)28(39)40-4/h5-11,13,20,26H,12H2,1-4H3,(H,35,38)(H,36,37)/t20-,26+,30-/m1/s1
InChIKeyKWWLBJJFAJQYNZ-APLQCPMFSA-N
XLogP6.15
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.45
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[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
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
methyl 1-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]cyclobutane-1-carboxylate
CID 76567912
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
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
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
4'-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]-6-chloro-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 74928537

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)C(C)(C)Oc1cc(F)c(Cl)cc1[C@H]1CC(=O)N[C@@H](c2cc(F)ccc2C)[C@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of 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?
The InChIKey is KWWLBJJFAJQYNZ-APLQCPMFSA-N. The full InChI is InChI=1S/C30H26Cl2F2N2O5/c1-14-5-7-16(33)10-17(14)26-30(19-8-6-15(31)9-23(19)35-27(30)38)20(12-25(37)36-26)18-11-21(32)22(34)13-24(18)41-29(2,3)28(39)40-4/h5-11,13,20,26H,12H2,1-4H3,(H,35,38)(H,36,37)/t20-,26+,30-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 603.45 g/mol, XLogP of 6.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59549300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).