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

C16H15FN2O — CID 43196077

IUPAC3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one
SMILESCCc1cccc(NC2C(=O)Nc3ccc(F)cc32)c1
InChIInChI=1S/C16H15FN2O/c1-2-10-4-3-5-12(8-10)18-15-13-9-11(17)6-7-14(13)19-16(15)20/h3-9,15,18H,2H2,1H3,(H,19,20)
InChIKeyHOSSCMOESBFABV-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.49
Rot. Bonds3

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

3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 43196077) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one
PubChem CID43196077
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one
SMILESCCc1cccc(NC2C(=O)Nc3ccc(F)cc32)c1
InChIInChI=1S/C16H15FN2O/c1-2-10-4-3-5-12(8-10)18-15-13-9-11(17)6-7-14(13)19-16(15)20/h3-9,15,18H,2H2,1H3,(H,19,20)
InChIKeyHOSSCMOESBFABV-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43196036
5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124316
5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one
CID 43742739
5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 43204421
5-fluoro-3-(naphthalen-1-ylamino)-1,3-dihydroindol-2-one
CID 43824875
3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43119152
5-fluoro-3-(5-fluoro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43195478
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-1,3-dihydroindol-2-one
CID 43824703
6-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124339
4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzamide
CID 43193021
5-chloro-3-(3-methoxyanilino)-1,3-dihydroindol-2-one
CID 43196411
3-(2,3-dihydro-1-benzofuran-5-ylamino)-5-fluoro-1,3-dihydroindol-2-one
CID 43732703

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one (CID 43196077) is 3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one is CCc1cccc(NC2C(=O)Nc3ccc(F)cc32)c1.
What is the InChIKey of 3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is HOSSCMOESBFABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-2-10-4-3-5-12(8-10)18-15-13-9-11(17)6-7-14(13)19-16(15)20/h3-9,15,18H,2H2,1H3,(H,19,20).
What are the key properties of 3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one?
3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 270.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43196077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).