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

C14H9Br2FN2O2 — CID 81314354

IUPAC3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3cc(F)cc(Br)c3)c(Br)cc21
InChIInChI=1S/C14H9Br2FN2O2/c15-6-1-7(17)3-8(2-6)21-12-5-11-9(4-10(12)16)13(18)14(20)19-11/h1-5,13H,18H2,(H,19,20)
InChIKeyQPQSEOHWEHTRIN-UHFFFAOYSA-N
MW416.04 g/mol
LogP4.09
Rot. Bonds2

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

3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one (PubChem CID 81314354) has the molecular formula C14H9Br2FN2O2 and a molecular weight of 416.04 g/mol. Its IUPAC name is 3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one
PubChem CID81314354
Molecular FormulaC14H9Br2FN2O2
Molecular Weight416.04 g/mol
Exact Mass413.90
IUPAC Name3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Oc3cc(F)cc(Br)c3)c(Br)cc21
InChIInChI=1S/C14H9Br2FN2O2/c15-6-1-7(17)3-8(2-6)21-12-5-11-9(4-10(12)16)13(18)14(20)19-11/h1-5,13H,18H2,(H,19,20)
InChIKeyQPQSEOHWEHTRIN-UHFFFAOYSA-N
XLogP4.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.04
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one
CID 102982290
4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile
CID 79344593
3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one
CID 79343739
3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one
CID 82955288
3-amino-5-bromo-6-butoxy-1,3-dihydroindol-2-one
CID 79344411
3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one
CID 79343756
3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one
CID 79344513
3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79342600
3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one
CID 79343294
3-amino-5-bromo-6-(thiophen-2-ylmethoxy)-1,3-dihydroindol-2-one
CID 79342834
4-(3-bromo-5-fluorophenoxy)-3-fluoroaniline
CID 81321851
5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline
CID 81322372

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one (CID 81314354) is 3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(Oc3cc(F)cc(Br)c3)c(Br)cc21.
What is the InChIKey of 3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one?
The InChIKey is QPQSEOHWEHTRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2FN2O2/c15-6-1-7(17)3-8(2-6)21-12-5-11-9(4-10(12)16)13(18)14(20)19-11/h1-5,13H,18H2,(H,19,20).
What are the key properties of 3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one has a molecular weight of 416.04 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 81314354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).