7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one

C14H19FN2O — CID 82173275

IUPAC7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(F)cc2C(N)C(C)C
InChIInChI=1S/C14H19FN2O/c1-4-9-10-5-8(15)6-11(12(16)7(2)3)13(10)17-14(9)18/h5-7,9,12H,4,16H2,1-3H3,(H,17,18)
InChIKeyZOQWBYAZHIFGHJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.93
Rot. Bonds3

About 7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one

7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 82173275) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
PubChem CID82173275
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(F)cc2C(N)C(C)C
InChIInChI=1S/C14H19FN2O/c1-4-9-10-5-8(15)6-11(12(16)7(2)3)13(10)17-14(9)18/h5-7,9,12H,4,16H2,1-3H3,(H,17,18)
InChIKeyZOQWBYAZHIFGHJ-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one (CID 82173275) is 7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c1cc(F)cc2C(N)C(C)C.
What is the InChIKey of 7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is ZOQWBYAZHIFGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-4-9-10-5-8(15)6-11(12(16)7(2)3)13(10)17-14(9)18/h5-7,9,12H,4,16H2,1-3H3,(H,17,18).
What are the key properties of 7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 250.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-amino-2-methylpropyl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).