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

C14H9Cl2FN2O2 — CID 79344534

IUPAC3-amino-5-chloro-6-(2-chloro-4-fluorophenoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3ccc(F)cc3Cl)c(Cl)cc21
InChIInChI=1S/C14H9Cl2FN2O2/c15-8-3-6(17)1-2-11(8)21-12-5-10-7(4-9(12)16)13(18)14(20)19-10/h1-5,13H,18H2,(H,19,20)
InChIKeyYTSZBGGPBUYRIV-UHFFFAOYSA-N
MW327.14 g/mol
LogP3.88
Rot. Bonds2

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

3-amino-5-chloro-6-(2-chloro-4-fluorophenoxy)-1,3-dihydroindol-2-one (PubChem CID 79344534) has the molecular formula C14H9Cl2FN2O2 and a molecular weight of 327.14 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(2-chloro-4-fluorophenoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(2-chloro-4-fluorophenoxy)-1,3-dihydroindol-2-one
PubChem CID79344534
Molecular FormulaC14H9Cl2FN2O2
Molecular Weight327.14 g/mol
Exact Mass326.00
IUPAC Name3-amino-5-chloro-6-(2-chloro-4-fluorophenoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3ccc(F)cc3Cl)c(Cl)cc21
InChIInChI=1S/C14H9Cl2FN2O2/c15-8-3-6(17)1-2-11(8)21-12-5-10-7(4-9(12)16)13(18)14(20)19-10/h1-5,13H,18H2,(H,19,20)
InChIKeyYTSZBGGPBUYRIV-UHFFFAOYSA-N
XLogP3.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 53.88
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-(2-chloro-4-fluorophenoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(2-chloro-4-fluorophenoxy)-1,3-dihydroindol-2-one (CID 79344534) is 3-amino-5-chloro-6-(2-chloro-4-fluorophenoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(2-chloro-4-fluorophenoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(2-chloro-4-fluorophenoxy)-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(Oc3ccc(F)cc3Cl)c(Cl)cc21.
What is the InChIKey of 3-amino-5-chloro-6-(2-chloro-4-fluorophenoxy)-1,3-dihydroindol-2-one?
The InChIKey is YTSZBGGPBUYRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O2/c15-8-3-6(17)1-2-11(8)21-12-5-10-7(4-9(12)16)13(18)14(20)19-10/h1-5,13H,18H2,(H,19,20).
What are the key properties of 3-amino-5-chloro-6-(2-chloro-4-fluorophenoxy)-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(2-chloro-4-fluorophenoxy)-1,3-dihydroindol-2-one has a molecular weight of 327.14 g/mol, XLogP of 3.88, 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-(2-chloro-4-fluorophenoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).