5-chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one

C12H12ClF3N2O2 — CID 79335920

IUPAC5-chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(OC(C)C(F)(F)F)c(Cl)cc21
InChIInChI=1S/C12H12ClF3N2O2/c1-5(12(14,15)16)20-9-4-8-6(3-7(9)13)10(17-2)11(19)18-8/h3-5,10,17H,1-2H3,(H,18,19)
InChIKeyROQUHOPJPKHHRL-UHFFFAOYSA-N
MW308.69 g/mol
LogP2.88
Rot. Bonds3

About 5-chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one

5-chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one (PubChem CID 79335920) has the molecular formula C12H12ClF3N2O2 and a molecular weight of 308.69 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one
PubChem CID79335920
Molecular FormulaC12H12ClF3N2O2
Molecular Weight308.69 g/mol
Exact Mass308.05
IUPAC Name5-chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(OC(C)C(F)(F)F)c(Cl)cc21
InChIInChI=1S/C12H12ClF3N2O2/c1-5(12(14,15)16)20-9-4-8-6(3-7(9)13)10(17-2)11(19)18-8/h3-5,10,17H,1-2H3,(H,18,19)
InChIKeyROQUHOPJPKHHRL-UHFFFAOYSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one (CID 79335920) is 5-chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(OC(C)C(F)(F)F)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one?
The InChIKey is ROQUHOPJPKHHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O2/c1-5(12(14,15)16)20-9-4-8-6(3-7(9)13)10(17-2)11(19)18-8/h3-5,10,17H,1-2H3,(H,18,19).
What are the key properties of 5-chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one?
5-chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one has a molecular weight of 308.69 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79335920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).