3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one

C19H17F2NO2 — CID 25060572

IUPAC3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)C1CCCC1
InChIInChI=1S/C19H17F2NO2/c20-15-10-9-14-17(16(15)21)22-18(24)19(14,11-3-1-2-4-11)12-5-7-13(23)8-6-12/h5-11,23H,1-4H2,(H,22,24)
InChIKeyYYAXCYSKIPJRTF-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.10
Rot. Bonds2

About 3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one

3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one (PubChem CID 25060572) has the molecular formula C19H17F2NO2 and a molecular weight of 329.35 g/mol. Its IUPAC name is 3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
PubChem CID25060572
Molecular FormulaC19H17F2NO2
Molecular Weight329.35 g/mol
Exact Mass329.12
IUPAC Name3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)C1CCCC1
InChIInChI=1S/C19H17F2NO2/c20-15-10-9-14-17(16(15)21)22-18(24)19(14,11-3-1-2-4-11)12-5-7-13(23)8-6-12/h5-11,23H,1-4H2,(H,22,24)
InChIKeyYYAXCYSKIPJRTF-UHFFFAOYSA-N
XLogP4.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The IUPAC name of 3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one (CID 25060572) is 3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The canonical SMILES for 3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one is O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The InChIKey is YYAXCYSKIPJRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO2/c20-15-10-9-14-17(16(15)21)22-18(24)19(14,11-3-1-2-4-11)12-5-7-13(23)8-6-12/h5-11,23H,1-4H2,(H,22,24).
What are the key properties of 3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one has a molecular weight of 329.35 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 25060572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).