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

C30H27Cl2FN2O5 — CID 135026001

IUPACmethyl 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
SMILESCOC(=O)C(C)(C)Oc1ccc(Cl)cc1[C@@H]1NC(=O)C[C@H](c2cc(F)ccc2C)[C@@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C30H27Cl2FN2O5/c1-15-5-8-18(33)13-19(15)22-14-25(36)35-26(30(22)21-9-6-17(32)12-23(21)34-27(30)37)20-11-16(31)7-10-24(20)40-29(2,3)28(38)39-4/h5-13,22,26H,14H2,1-4H3,(H,34,37)(H,35,36)/t22-,26+,30-/m1/s1
InChIKeyWCVJXFXDTJEDAY-WHOFMZINSA-N
MW585.46 g/mol
LogP6.01
Rot. Bonds5

About 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

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 (PubChem CID 135026001) has the molecular formula C30H27Cl2FN2O5 and a molecular weight of 585.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID135026001
Molecular FormulaC30H27Cl2FN2O5
Molecular Weight585.46 g/mol
Exact Mass584.13
IUPAC Namemethyl 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
SMILESCOC(=O)C(C)(C)Oc1ccc(Cl)cc1[C@@H]1NC(=O)C[C@H](c2cc(F)ccc2C)[C@@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C30H27Cl2FN2O5/c1-15-5-8-18(33)13-19(15)22-14-25(36)35-26(30(22)21-9-6-17(32)12-23(21)34-27(30)37)20-11-16(31)7-10-24(20)40-29(2,3)28(38)39-4/h5-13,22,26H,14H2,1-4H3,(H,34,37)(H,35,36)/t22-,26+,30-/m1/s1
InChIKeyWCVJXFXDTJEDAY-WHOFMZINSA-N
XLogP6.01
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.46
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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
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
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
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
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)C(C)(C)Oc1ccc(Cl)cc1[C@@H]1NC(=O)C[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-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]phenoxy]-2-methylpropanoate?
The InChIKey is WCVJXFXDTJEDAY-WHOFMZINSA-N. The full InChI is InChI=1S/C30H27Cl2FN2O5/c1-15-5-8-18(33)13-19(15)22-14-25(36)35-26(30(22)21-9-6-17(32)12-23(21)34-27(30)37)20-11-16(31)7-10-24(20)40-29(2,3)28(38)39-4/h5-13,22,26H,14H2,1-4H3,(H,34,37)(H,35,36)/t22-,26+,30-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 585.46 g/mol, XLogP of 6.01, 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-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 135026001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).