3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one

C15H12F2N2O — CID 43123963

IUPAC3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(Nc1c(F)cccc1F)C(=O)N2
InChIInChI=1S/C15H12F2N2O/c1-8-5-6-12-9(7-8)13(15(20)18-12)19-14-10(16)3-2-4-11(14)17/h2-7,13,19H,1H3,(H,18,20)
InChIKeyYDQJRWSEFJDSBN-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.38
Rot. Bonds2

About 3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one

3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one (PubChem CID 43123963) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one
PubChem CID43123963
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(Nc1c(F)cccc1F)C(=O)N2
InChIInChI=1S/C15H12F2N2O/c1-8-5-6-12-9(7-8)13(15(20)18-12)19-14-10(16)3-2-4-11(14)17/h2-7,13,19H,1H3,(H,18,20)
InChIKeyYDQJRWSEFJDSBN-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one (CID 43123963) is 3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one is Cc1ccc2c(c1)C(Nc1c(F)cccc1F)C(=O)N2.
What is the InChIKey of 3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is YDQJRWSEFJDSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-8-5-6-12-9(7-8)13(15(20)18-12)19-14-10(16)3-2-4-11(14)17/h2-7,13,19H,1H3,(H,18,20).
What are the key properties of 3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one?
3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 274.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43123963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).