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

C14H9Cl3N2O2 — CID 79344344

IUPAC3-amino-5-chloro-6-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3cc(Cl)ccc3Cl)c(Cl)cc21
InChIInChI=1S/C14H9Cl3N2O2/c15-6-1-2-8(16)11(3-6)21-12-5-10-7(4-9(12)17)13(18)14(20)19-10/h1-5,13H,18H2,(H,19,20)
InChIKeyOPBIGBUBQXPCNU-UHFFFAOYSA-N
MW343.60 g/mol
LogP4.39
Rot. Bonds2

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

3-amino-5-chloro-6-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one (PubChem CID 79344344) has the molecular formula C14H9Cl3N2O2 and a molecular weight of 343.60 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one
PubChem CID79344344
Molecular FormulaC14H9Cl3N2O2
Molecular Weight343.60 g/mol
Exact Mass341.97
IUPAC Name3-amino-5-chloro-6-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3cc(Cl)ccc3Cl)c(Cl)cc21
InChIInChI=1S/C14H9Cl3N2O2/c15-6-1-2-8(16)11(3-6)21-12-5-10-7(4-9(12)17)13(18)14(20)19-10/h1-5,13H,18H2,(H,19,20)
InChIKeyOPBIGBUBQXPCNU-UHFFFAOYSA-N
XLogP4.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 54.39
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-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one (CID 79344344) is 3-amino-5-chloro-6-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(Oc3cc(Cl)ccc3Cl)c(Cl)cc21.
What is the InChIKey of 3-amino-5-chloro-6-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one?
The InChIKey is OPBIGBUBQXPCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2O2/c15-6-1-2-8(16)11(3-6)21-12-5-10-7(4-9(12)17)13(18)14(20)19-10/h1-5,13H,18H2,(H,19,20).
What are the key properties of 3-amino-5-chloro-6-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one has a molecular weight of 343.60 g/mol, XLogP of 4.39, 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-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).