3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one

C14H9F3N2O — CID 43196036

IUPAC3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H9F3N2O/c15-7-1-2-12-11(6-7)13(14(20)19-12)18-10-4-8(16)3-9(17)5-10/h1-6,13,18H,(H,19,20)
InChIKeyCPBPQOJQUWVTSY-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.21
Rot. Bonds2

About 3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one

3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 43196036) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
PubChem CID43196036
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H9F3N2O/c15-7-1-2-12-11(6-7)13(14(20)19-12)18-10-4-8(16)3-9(17)5-10/h1-6,13,18H,(H,19,20)
InChIKeyCPBPQOJQUWVTSY-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one (CID 43196036) is 3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1Nc1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is CPBPQOJQUWVTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-7-1-2-12-11(6-7)13(14(20)19-12)18-10-4-8(16)3-9(17)5-10/h1-6,13,18H,(H,19,20).
What are the key properties of 3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one?
3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 278.23 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43196036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).