3-[3-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one

C15H12F2N2O2 — CID 43698881

IUPAC3-[3-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1Nc1cccc(OC(F)F)c1
InChIInChI=1S/C15H12F2N2O2/c16-15(17)21-10-5-3-4-9(8-10)18-13-11-6-1-2-7-12(11)19-14(13)20/h1-8,13,15,18H,(H,19,20)
InChIKeyFRZRGOIKKQGEPG-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.39
Rot. Bonds4

About 3-[3-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one

3-[3-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one (PubChem CID 43698881) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one
PubChem CID43698881
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name3-[3-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1Nc1cccc(OC(F)F)c1
InChIInChI=1S/C15H12F2N2O2/c16-15(17)21-10-5-3-4-9(8-10)18-13-11-6-1-2-7-12(11)19-14(13)20/h1-8,13,15,18H,(H,19,20)
InChIKeyFRZRGOIKKQGEPG-UHFFFAOYSA-N
XLogP3.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[3-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one (CID 43698881) is 3-[3-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[3-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[3-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1Nc1cccc(OC(F)F)c1.
What is the InChIKey of 3-[3-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one?
The InChIKey is FRZRGOIKKQGEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c16-15(17)21-10-5-3-4-9(8-10)18-13-11-6-1-2-7-12(11)19-14(13)20/h1-8,13,15,18H,(H,19,20).
What are the key properties of 3-[3-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one?
3-[3-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one has a molecular weight of 290.27 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43698881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).