5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one

C13H15ClF2N2O2 — CID 82005920

IUPAC5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(OCC(F)F)c(Cl)cc21
InChIInChI=1S/C13H15ClF2N2O2/c1-2-3-17-12-7-4-8(14)10(20-6-11(15)16)5-9(7)18-13(12)19/h4-5,11-12,17H,2-3,6H2,1H3,(H,18,19)
InChIKeyNJLFNQNRCKDLLV-UHFFFAOYSA-N
MW304.72 g/mol
LogP2.98
Rot. Bonds6

About 5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one

5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 82005920) has the molecular formula C13H15ClF2N2O2 and a molecular weight of 304.72 g/mol. Its IUPAC name is 5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID82005920
Molecular FormulaC13H15ClF2N2O2
Molecular Weight304.72 g/mol
Exact Mass304.08
IUPAC Name5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(OCC(F)F)c(Cl)cc21
InChIInChI=1S/C13H15ClF2N2O2/c1-2-3-17-12-7-4-8(14)10(20-6-11(15)16)5-9(7)18-13(12)19/h4-5,11-12,17H,2-3,6H2,1H3,(H,18,19)
InChIKeyNJLFNQNRCKDLLV-UHFFFAOYSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.72
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one (CID 82005920) is 5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(OCC(F)F)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is NJLFNQNRCKDLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2O2/c1-2-3-17-12-7-4-8(14)10(20-6-11(15)16)5-9(7)18-13(12)19/h4-5,11-12,17H,2-3,6H2,1H3,(H,18,19).
What are the key properties of 5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one?
5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 304.72 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82005920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).