2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid

C21H19FN2O4 — CID 143538296

IUPAC2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid
SMILESCc1ccc(F)cc1C1CC(=O)N(CC(=O)O)CC12C(=O)Nc1ccccc12
InChIInChI=1S/C21H19FN2O4/c1-12-6-7-13(22)8-14(12)16-9-18(25)24(10-19(26)27)11-21(16)15-4-2-3-5-17(15)23-20(21)28/h2-8,16H,9-11H2,1H3,(H,23,28)(H,26,27)
InChIKeyOPAVPSJQOGLTFW-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.42
Rot. Bonds3

About 2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid

2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid (PubChem CID 143538296) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid.

Molecular Properties

Compound Name2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid
PubChem CID143538296
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid
SMILESCc1ccc(F)cc1C1CC(=O)N(CC(=O)O)CC12C(=O)Nc1ccccc12
InChIInChI=1S/C21H19FN2O4/c1-12-6-7-13(22)8-14(12)16-9-18(25)24(10-19(26)27)11-21(16)15-4-2-3-5-17(15)23-20(21)28/h2-8,16H,9-11H2,1H3,(H,23,28)(H,26,27)
InChIKeyOPAVPSJQOGLTFW-UHFFFAOYSA-N
XLogP2.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid with MolForge

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Related Compounds

1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 141183585
3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one
CID 105372992
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1'-methylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68963007
2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 24788389
2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetic acid
CID 73315581
1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid
CID 71305423
(3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 2604219
(2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612719
(2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165423251
3-[(2'S,3S,4'R)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-[(2-methylpropan-2-yl)oxy]propanamide;1-methoxyethyl(trimethyl)silane
CID 87658868
tert-butyl 2-(5-fluoro-2,2',5'-trioxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)acetate
CID 24829238
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

Frequently Asked Questions

What is the IUPAC name of 2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid?
The IUPAC name of 2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid (CID 143538296) is 2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid.
What is the SMILES notation for 2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid?
The canonical SMILES for 2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid is Cc1ccc(F)cc1C1CC(=O)N(CC(=O)O)CC12C(=O)Nc1ccccc12.
What is the InChIKey of 2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid?
The InChIKey is OPAVPSJQOGLTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-12-6-7-13(22)8-14(12)16-9-18(25)24(10-19(26)27)11-21(16)15-4-2-3-5-17(15)23-20(21)28/h2-8,16H,9-11H2,1H3,(H,23,28)(H,26,27).
What are the key properties of 2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid?
2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid has a molecular weight of 382.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid is sourced from PubChem (CID 143538296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).