3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one

C16H13FN2O2 — CID 43732703

IUPAC3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Nc1ccc2c(c1)CCO2
InChIInChI=1S/C16H13FN2O2/c17-10-1-3-13-12(8-10)15(16(20)19-13)18-11-2-4-14-9(7-11)5-6-21-14/h1-4,7-8,15,18H,5-6H2,(H,19,20)
InChIKeyLMODRPQNAJGBTQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.87
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one

3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 43732703) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one
PubChem CID43732703
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1Nc1ccc2c(c1)CCO2
InChIInChI=1S/C16H13FN2O2/c17-10-1-3-13-12(8-10)15(16(20)19-13)18-11-2-4-14-9(7-11)5-6-21-14/h1-4,7-8,15,18H,5-6H2,(H,19,20)
InChIKeyLMODRPQNAJGBTQ-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one
CID 43824703
5-chloro-3-(2,3-dihydro-1-benzofuran-5-ylamino)-1,3-dihydroindol-2-one
CID 43732708
5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one
CID 43742739
5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124316
3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43196036
3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43119152
3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43196077
6-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124339
5-fluoro-3-(5-fluoro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43195478
4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzamide
CID 43193021
5-fluoro-3-(2,4,6-tribromoanilino)-1,3-dihydroindol-2-one
CID 43126295
4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid
CID 43321623

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one (CID 43732703) is 3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1Nc1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is LMODRPQNAJGBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-10-1-3-13-12(8-10)15(16(20)19-13)18-11-2-4-14-9(7-11)5-6-21-14/h1-4,7-8,15,18H,5-6H2,(H,19,20).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one?
3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 284.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43732703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).