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

C15H12F2N2O2 — CID 43202027

IUPAC3-[2-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1Nc1ccccc1OC(F)F
InChIInChI=1S/C15H12F2N2O2/c16-15(17)21-12-8-4-3-7-11(12)18-13-9-5-1-2-6-10(9)19-14(13)20/h1-8,13,15,18H,(H,19,20)
InChIKeyJWPVGUBMMMAELW-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.39
Rot. Bonds4

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

3-[2-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one (PubChem CID 43202027) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one
PubChem CID43202027
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name3-[2-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1Nc1ccccc1OC(F)F
InChIInChI=1S/C15H12F2N2O2/c16-15(17)21-12-8-4-3-7-11(12)18-13-9-5-1-2-6-10(9)19-14(13)20/h1-8,13,15,18H,(H,19,20)
InChIKeyJWPVGUBMMMAELW-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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Related Compounds

3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione
CID 146573025
3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one
CID 43681327
3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one
CID 43189774
5-fluoro-3-(naphthalen-1-ylamino)-1,3-dihydroindol-2-one
CID 43824875
3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one
CID 43739009
3-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one
CID 43380600
methyl 4-[(2-oxo-1,3-dihydroindol-3-yl)amino]benzoate
CID 43139137
5-fluoro-3-(5-fluoro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43195478
5-fluoro-3-[(2-methoxy-3-pyridinyl)amino]-1,3-dihydroindol-2-one
CID 43721837
N-[2-(difluoromethoxy)phenyl]thian-4-amine
CID 43511331
3-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43370920
5-methyl-3-(2-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43192468

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[2-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one (CID 43202027) is 3-[2-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[2-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[2-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1Nc1ccccc1OC(F)F.
What is the InChIKey of 3-[2-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one?
The InChIKey is JWPVGUBMMMAELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c16-15(17)21-12-8-4-3-7-11(12)18-13-9-5-1-2-6-10(9)19-14(13)20/h1-8,13,15,18H,(H,19,20).
What are the key properties of 3-[2-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one?
3-[2-(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-[2-(difluoromethoxy)anilino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43202027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).