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

C15H12BrFN2O2 — CID 102982290

IUPAC3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one
SMILESCc1ccc(F)cc1Oc1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C15H12BrFN2O2/c1-7-2-3-8(17)4-12(7)21-13-6-11-9(5-10(13)16)14(18)15(20)19-11/h2-6,14H,18H2,1H3,(H,19,20)
InChIKeyDQRODRPSNPDDTI-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.64
Rot. Bonds2

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

3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one (PubChem CID 102982290) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one
PubChem CID102982290
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one
SMILESCc1ccc(F)cc1Oc1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C15H12BrFN2O2/c1-7-2-3-8(17)4-12(7)21-13-6-11-9(5-10(13)16)14(18)15(20)19-11/h2-6,14H,18H2,1H3,(H,19,20)
InChIKeyDQRODRPSNPDDTI-UHFFFAOYSA-N
XLogP3.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-bromo-6-(3-bromo-5-fluorophenoxy)-1,3-dihydroindol-2-one
CID 81314354
3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one
CID 79343739
3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride
CID 122157091
3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one
CID 79343756
4-[(3-amino-5-bromo-2-oxo-1,3-dihydroindol-6-yl)oxy]benzonitrile
CID 79344593
3-amino-5-bromo-6-butoxy-1,3-dihydroindol-2-one
CID 79344411
3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one
CID 82955288
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-6-(2-methylphenoxy)-1,3-dihydroindol-2-one
CID 63369724
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one (CID 102982290) is 3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one is Cc1ccc(F)cc1Oc1cc2c(cc1Br)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one?
The InChIKey is DQRODRPSNPDDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-7-2-3-8(17)4-12(7)21-13-6-11-9(5-10(13)16)14(18)15(20)19-11/h2-6,14H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one has a molecular weight of 351.18 g/mol, XLogP of 3.64, 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-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 102982290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).