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

C12H15ClN2O2 — CID 79348948

IUPAC3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
SMILESCC(C)COc1cc2c(cc1Cl)C(N)C(=O)N2
InChIInChI=1S/C12H15ClN2O2/c1-6(2)5-17-10-4-9-7(3-8(10)13)11(14)12(16)15-9/h3-4,6,11H,5,14H2,1-2H3,(H,15,16)
InChIKeyRGCQDVAMJGVMSM-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.33
Rot. Bonds3

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

3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one (PubChem CID 79348948) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
PubChem CID79348948
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
SMILESCC(C)COc1cc2c(cc1Cl)C(N)C(=O)N2
InChIInChI=1S/C12H15ClN2O2/c1-6(2)5-17-10-4-9-7(3-8(10)13)11(14)12(16)15-9/h3-4,6,11H,5,14H2,1-2H3,(H,15,16)
InChIKeyRGCQDVAMJGVMSM-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.33
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-methylpropoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one (CID 79348948) is 3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one is CC(C)COc1cc2c(cc1Cl)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one?
The InChIKey is RGCQDVAMJGVMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-6(2)5-17-10-4-9-7(3-8(10)13)11(14)12(16)15-9/h3-4,6,11H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one has a molecular weight of 254.72 g/mol, XLogP of 2.33, 3 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-methylpropoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79348948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).