3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one

C22H24FNO2 — CID 68798204

IUPAC3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one
SMILESCN1C(=O)C(c2ccc(O)cc2)(C2CCCCCC2)c2ccc(F)cc21
InChIInChI=1S/C22H24FNO2/c1-24-20-14-17(23)10-13-19(20)22(21(24)26,15-6-4-2-3-5-7-15)16-8-11-18(25)12-9-16/h8-15,25H,2-7H2,1H3
InChIKeyYKEKIKREZFSKPL-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.76
Rot. Bonds2

About 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one

3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one (PubChem CID 68798204) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one.

Molecular Properties

Compound Name3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one
PubChem CID68798204
Molecular FormulaC22H24FNO2
Molecular Weight353.44 g/mol
Exact Mass353.18
IUPAC Name3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one
SMILESCN1C(=O)C(c2ccc(O)cc2)(C2CCCCCC2)c2ccc(F)cc21
InChIInChI=1S/C22H24FNO2/c1-24-20-14-17(23)10-13-19(20)22(21(24)26,15-6-4-2-3-5-7-15)16-8-11-18(25)12-9-16/h8-15,25H,2-7H2,1H3
InChIKeyYKEKIKREZFSKPL-UHFFFAOYSA-N
XLogP4.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one?
The IUPAC name of 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one (CID 68798204) is 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one.
What is the SMILES notation for 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one?
The canonical SMILES for 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one is CN1C(=O)C(c2ccc(O)cc2)(C2CCCCCC2)c2ccc(F)cc21.
What is the InChIKey of 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one?
The InChIKey is YKEKIKREZFSKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO2/c1-24-20-14-17(23)10-13-19(20)22(21(24)26,15-6-4-2-3-5-7-15)16-8-11-18(25)12-9-16/h8-15,25H,2-7H2,1H3.
What are the key properties of 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one?
3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one has a molecular weight of 353.44 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-1-methylindol-2-one is sourced from PubChem (CID 68798204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).