7-(ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one

C11H13FN2O — CID 166132841

IUPAC7-(ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one
SMILESCCNc1cc(F)cc2c1NC(=O)C2C
InChIInChI=1S/C11H13FN2O/c1-3-13-9-5-7(12)4-8-6(2)11(15)14-10(8)9/h4-6,13H,3H2,1-2H3,(H,14,15)
InChIKeyVEPNSWKRARRJJA-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.31
Rot. Bonds2

About 7-(ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one

7-(ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one (PubChem CID 166132841) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 7-(ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one
PubChem CID166132841
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name7-(ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one
SMILESCCNc1cc(F)cc2c1NC(=O)C2C
InChIInChI=1S/C11H13FN2O/c1-3-13-9-5-7(12)4-8-6(2)11(15)14-10(8)9/h4-6,13H,3H2,1-2H3,(H,14,15)
InChIKeyVEPNSWKRARRJJA-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one (CID 166132841) is 7-(ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one is CCNc1cc(F)cc2c1NC(=O)C2C.
What is the InChIKey of 7-(ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is VEPNSWKRARRJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-3-13-9-5-7(12)4-8-6(2)11(15)14-10(8)9/h4-6,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 7-(ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one?
7-(ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 208.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethylamino)-5-fluoro-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 166132841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).