3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one

C15H18FNO — CID 106986983

IUPAC3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1CC1CCCCC1
InChIInChI=1S/C15H18FNO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h6-7,9-10,13H,1-5,8H2,(H,17,18)
InChIKeyURBJNZBPBMGSLZ-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.83
Rot. Bonds2

About 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one

3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 106986983) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
PubChem CID106986983
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1CC1CCCCC1
InChIInChI=1S/C15H18FNO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h6-7,9-10,13H,1-5,8H2,(H,17,18)
InChIKeyURBJNZBPBMGSLZ-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one
CID 19076497
5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one
CID 131358029
7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 106986994
5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039
3-bromo-5-fluoro-1,3-dihydroindol-2-one
CID 102193435
5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride
CID 67837377
5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
CID 143719434
5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one
CID 106986781
5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986680
4-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)butyl methanesulfonate
CID 86615155
3-tert-butyl-5-fluoro-1,3-dihydroindol-2-one
CID 106986875
(5R)-4-(3-cyclohexylpropanoyl)-7-fluoro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2160059

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one (CID 106986983) is 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is URBJNZBPBMGSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h6-7,9-10,13H,1-5,8H2,(H,17,18).
What are the key properties of 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one?
3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 247.31 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).