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

C15H13BrN2O3 — CID 104706571

IUPAC5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one
SMILESCOc1ccc(Oc2cc3c(cc2N)CC(=O)N3)c(Br)c1
InChIInChI=1S/C15H13BrN2O3/c1-20-9-2-3-13(10(16)6-9)21-14-7-12-8(4-11(14)17)5-15(19)18-12/h2-4,6-7H,5,17H2,1H3,(H,18,19)
InChIKeyNZNDZFVMUDZOPJ-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.33
Rot. Bonds3

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

5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one (PubChem CID 104706571) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one
PubChem CID104706571
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one
SMILESCOc1ccc(Oc2cc3c(cc2N)CC(=O)N3)c(Br)c1
InChIInChI=1S/C15H13BrN2O3/c1-20-9-2-3-13(10(16)6-9)21-14-7-12-8(4-11(14)17)5-15(19)18-12/h2-4,6-7H,5,17H2,1H3,(H,18,19)
InChIKeyNZNDZFVMUDZOPJ-UHFFFAOYSA-N
XLogP3.33
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one
CID 43451902
5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one
CID 43451950
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561
2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
CID 113443527
6-amino-7-(4-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455675
3-amino-4-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708160
5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
CID 43451909
2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline
CID 104706508
7-amino-6-(2-bromo-4-fluorophenoxy)-4H-1,4-benzoxazin-3-one
CID 43479365
5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one
CID 64730371
5-amino-6-octoxy-1,3-dihydroindol-2-one
CID 43451940
6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455658

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one (CID 104706571) is 5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one is COc1ccc(Oc2cc3c(cc2N)CC(=O)N3)c(Br)c1.
What is the InChIKey of 5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one?
The InChIKey is NZNDZFVMUDZOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-20-9-2-3-13(10(16)6-9)21-14-7-12-8(4-11(14)17)5-15(19)18-12/h2-4,6-7H,5,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one?
5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one has a molecular weight of 349.18 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 104706571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).