3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one

C16H13FN2O3 — CID 43824703

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H13FN2O3/c17-9-1-3-12-11(7-9)15(16(20)19-12)18-10-2-4-13-14(8-10)22-6-5-21-13/h1-4,7-8,15,18H,5-6H2,(H,19,20)
InChIKeyYAJLYKBTQGDKAR-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.70
Rot. Bonds2

About 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one

3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 43824703) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one
PubChem CID43824703
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H13FN2O3/c17-9-1-3-12-11(7-9)15(16(20)19-12)18-10-2-4-13-14(8-10)22-6-5-21-13/h1-4,7-8,15,18H,5-6H2,(H,19,20)
InChIKeyYAJLYKBTQGDKAR-UHFFFAOYSA-N
XLogP2.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one (CID 43824703) is 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is YAJLYKBTQGDKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c17-9-1-3-12-11(7-9)15(16(20)19-12)18-10-2-4-13-14(8-10)22-6-5-21-13/h1-4,7-8,15,18H,5-6H2,(H,19,20).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one?
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 300.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43824703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).