5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one

C12H15FN2O — CID 82236748

IUPAC5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2c(C)cc(F)cc21
InChIInChI=1S/C12H15FN2O/c1-3-4-14-11-9-6-8(13)5-7(2)10(9)15-12(11)16/h5-6,11,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyCJJCIIZCUGWOSF-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.13
Rot. Bonds3

About 5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one

5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 82236748) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID82236748
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2c(C)cc(F)cc21
InChIInChI=1S/C12H15FN2O/c1-3-4-14-11-9-6-8(13)5-7(2)10(9)15-12(11)16/h5-6,11,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyCJJCIIZCUGWOSF-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one (CID 82236748) is 5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2c(C)cc(F)cc21.
What is the InChIKey of 5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is CJJCIIZCUGWOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-3-4-14-11-9-6-8(13)5-7(2)10(9)15-12(11)16/h5-6,11,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one?
5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 222.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82236748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).