3-amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one

C14H9ClF2N2O2 — CID 79344531

IUPAC3-amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3ccc(F)c(F)c3)c(Cl)cc21
InChIInChI=1S/C14H9ClF2N2O2/c15-8-4-7-11(19-14(20)13(7)18)5-12(8)21-6-1-2-9(16)10(17)3-6/h1-5,13H,18H2,(H,19,20)
InChIKeyFKQNJRWIIDNTMB-UHFFFAOYSA-N
MW310.69 g/mol
LogP3.36
Rot. Bonds2

About 3-amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one

3-amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one (PubChem CID 79344531) has the molecular formula C14H9ClF2N2O2 and a molecular weight of 310.69 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one
PubChem CID79344531
Molecular FormulaC14H9ClF2N2O2
Molecular Weight310.69 g/mol
Exact Mass310.03
IUPAC Name3-amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3ccc(F)c(F)c3)c(Cl)cc21
InChIInChI=1S/C14H9ClF2N2O2/c15-8-4-7-11(19-14(20)13(7)18)5-12(8)21-6-1-2-9(16)10(17)3-6/h1-5,13H,18H2,(H,19,20)
InChIKeyFKQNJRWIIDNTMB-UHFFFAOYSA-N
XLogP3.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one (CID 79344531) is 3-amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(Oc3ccc(F)c(F)c3)c(Cl)cc21.
What is the InChIKey of 3-amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one?
The InChIKey is FKQNJRWIIDNTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O2/c15-8-4-7-11(19-14(20)13(7)18)5-12(8)21-6-1-2-9(16)10(17)3-6/h1-5,13H,18H2,(H,19,20).
What are the key properties of 3-amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one has a molecular weight of 310.69 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-(3,4-difluorophenoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).