4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid

C20H17F2NO4 — CID 155337882

IUPAC4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C1(CCC(Oc3cccc(F)c3F)CC1)C(=O)N2
InChIInChI=1S/C20H17F2NO4/c21-14-2-1-3-16(17(14)22)27-12-6-8-20(9-7-12)13-10-11(18(24)25)4-5-15(13)23-19(20)26/h1-5,10,12H,6-9H2,(H,23,26)(H,24,25)
InChIKeyFNCYBENXNAZIOL-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.87
Rot. Bonds3

About 4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid

4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid (PubChem CID 155337882) has the molecular formula C20H17F2NO4 and a molecular weight of 373.36 g/mol. Its IUPAC name is 4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid.

Molecular Properties

Compound Name4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
PubChem CID155337882
Molecular FormulaC20H17F2NO4
Molecular Weight373.36 g/mol
Exact Mass373.11
IUPAC Name4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C1(CCC(Oc3cccc(F)c3F)CC1)C(=O)N2
InChIInChI=1S/C20H17F2NO4/c21-14-2-1-3-16(17(14)22)27-12-6-8-20(9-7-12)13-10-11(18(24)25)4-5-15(13)23-19(20)26/h1-5,10,12H,6-9H2,(H,23,26)(H,24,25)
InChIKeyFNCYBENXNAZIOL-UHFFFAOYSA-N
XLogP3.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid with MolForge

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Related Compounds

4'-(2-chloro-4-fluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
CID 155337911
4'-(2-fluoro-4-methylphenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
CID 155337909
4'-(2-chloro-5-fluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
CID 155337922
4'-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
CID 155337948
4'-(3-chloro-4-fluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
CID 155337908
4'-(4-chloro-3-fluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
CID 155337920
1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
CID 163399289
(2'S,3S)-2'-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 99979116
2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
CID 163399256
3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79648627
(2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 99979078
N-cyclopropyl-1'-(cyclopropylmethyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide
CID 124554168

Frequently Asked Questions

What is the IUPAC name of 4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid?
The IUPAC name of 4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid (CID 155337882) is 4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid.
What is the SMILES notation for 4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid?
The canonical SMILES for 4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid is O=C(O)c1ccc2c(c1)C1(CCC(Oc3cccc(F)c3F)CC1)C(=O)N2.
What is the InChIKey of 4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid?
The InChIKey is FNCYBENXNAZIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO4/c21-14-2-1-3-16(17(14)22)27-12-6-8-20(9-7-12)13-10-11(18(24)25)4-5-15(13)23-19(20)26/h1-5,10,12H,6-9H2,(H,23,26)(H,24,25).
What are the key properties of 4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid?
4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid has a molecular weight of 373.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid is sourced from PubChem (CID 155337882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).