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

C14H9BrClFN2O2 — CID 79344513

IUPAC3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3ccc(Br)cc3F)c(Cl)cc21
InChIInChI=1S/C14H9BrClFN2O2/c15-6-1-2-11(9(17)3-6)21-12-5-10-7(4-8(12)16)13(18)14(20)19-10/h1-5,13H,18H2,(H,19,20)
InChIKeyWCONHZUYFBVQKE-UHFFFAOYSA-N
MW371.59 g/mol
LogP3.99
Rot. Bonds2

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

3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one (PubChem CID 79344513) has the molecular formula C14H9BrClFN2O2 and a molecular weight of 371.59 g/mol. Its IUPAC name is 3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one
PubChem CID79344513
Molecular FormulaC14H9BrClFN2O2
Molecular Weight371.59 g/mol
Exact Mass369.95
IUPAC Name3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3ccc(Br)cc3F)c(Cl)cc21
InChIInChI=1S/C14H9BrClFN2O2/c15-6-1-2-11(9(17)3-6)21-12-5-10-7(4-8(12)16)13(18)14(20)19-10/h1-5,13H,18H2,(H,19,20)
InChIKeyWCONHZUYFBVQKE-UHFFFAOYSA-N
XLogP3.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.59
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-chloro-6-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one
CID 79344344
3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride
CID 122157091
3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
CID 79349655
3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one
CID 102982290
5-chloro-6-(2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344349
3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one
CID 79349829
3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
CID 79348948
3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one
CID 81314354
3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one
CID 116801775
3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one
CID 79343637
3-amino-6-(2-bromophenyl)sulfanyl-5-chloro-1,3-dihydroindol-2-one
CID 79335923
3-amino-5-chloro-6-(2-thiophen-2-ylethoxy)-1,3-dihydroindol-2-one
CID 79349392

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one (CID 79344513) is 3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(Oc3ccc(Br)cc3F)c(Cl)cc21.
What is the InChIKey of 3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one?
The InChIKey is WCONHZUYFBVQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2O2/c15-6-1-2-11(9(17)3-6)21-12-5-10-7(4-8(12)16)13(18)14(20)19-10/h1-5,13H,18H2,(H,19,20).
What are the key properties of 3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one?
3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one has a molecular weight of 371.59 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).