ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate

C18H15F2NO5 — CID 58872506

IUPACethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(O)(c2cc(F)c(F)cc2O)c2ccccc21
InChIInChI=1S/C18H15F2NO5/c1-2-26-16(23)9-21-14-6-4-3-5-10(14)18(25,17(21)24)11-7-12(19)13(20)8-15(11)22/h3-8,22,25H,2,9H2,1H3
InChIKeyOXHJXICFXIBKLQ-UHFFFAOYSA-N
MW363.32 g/mol
LogP1.82
Rot. Bonds4

About ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate

ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate (PubChem CID 58872506) has the molecular formula C18H15F2NO5 and a molecular weight of 363.32 g/mol. Its IUPAC name is ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate
PubChem CID58872506
Molecular FormulaC18H15F2NO5
Molecular Weight363.32 g/mol
Exact Mass363.09
IUPAC Nameethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(O)(c2cc(F)c(F)cc2O)c2ccccc21
InChIInChI=1S/C18H15F2NO5/c1-2-26-16(23)9-21-14-6-4-3-5-10(14)18(25,17(21)24)11-7-12(19)13(20)8-15(11)22/h3-8,22,25H,2,9H2,1H3
InChIKeyOXHJXICFXIBKLQ-UHFFFAOYSA-N
XLogP1.82
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate
CID 2898105
ethyl 2-[(3R)-3-hydroxy-2-oxo-3-(2-oxo-2-pyridin-4-ylethyl)indol-1-yl]acetate
CID 1320412
ethyl 2-[5-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate
CID 58872441
ethyl 2-[3-hydroxy-2-oxo-3-(2-oxo-2-pyridin-2-ylethyl)indol-1-yl]acetate
CID 2927588
ethyl 2-[3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate
CID 2930270
ethyl 2-[(3S)-3-hydroxy-2-oxo-3-(2-oxo-2-pyridin-3-ylethyl)indol-1-yl]acetate
CID 1310836
ethyl 2-[(3S)-3-hydroxy-2-oxo-3-(2-oxo-2-thiophen-2-ylethyl)indol-1-yl]acetate
CID 7114795
ethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate
CID 86641819
ethyl 2-[3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate
CID 3147824
ethyl 2-[(3S)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate
CID 1162613
ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate
CID 83290555
N-(3-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095513

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate (CID 58872506) is ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate is CCOC(=O)CN1C(=O)C(O)(c2cc(F)c(F)cc2O)c2ccccc21.
What is the InChIKey of ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate?
The InChIKey is OXHJXICFXIBKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO5/c1-2-26-16(23)9-21-14-6-4-3-5-10(14)18(25,17(21)24)11-7-12(19)13(20)8-15(11)22/h3-8,22,25H,2,9H2,1H3.
What are the key properties of ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate?
ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate has a molecular weight of 363.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate is sourced from PubChem (CID 58872506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).