6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one

C14H19FN2O2 — CID 80758142

IUPAC6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCN(CC(C)C)c1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C14H19FN2O2/c1-4-17(7-8(2)3)12-6-11-9(5-10(12)15)13(18)14(19)16-11/h5-6,8,13,18H,4,7H2,1-3H3,(H,16,19)
InChIKeyGTNUQKIRPSHNTL-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.29
Rot. Bonds4

About 6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one

6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 80758142) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID80758142
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCN(CC(C)C)c1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C14H19FN2O2/c1-4-17(7-8(2)3)12-6-11-9(5-10(12)15)13(18)14(19)16-11/h5-6,8,13,18H,4,7H2,1-3H3,(H,16,19)
InChIKeyGTNUQKIRPSHNTL-UHFFFAOYSA-N
XLogP2.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 80758142) is 6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is CCN(CC(C)C)c1cc2c(cc1F)C(O)C(=O)N2.
What is the InChIKey of 6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is GTNUQKIRPSHNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-4-17(7-8(2)3)12-6-11-9(5-10(12)15)13(18)14(19)16-11/h5-6,8,13,18H,4,7H2,1-3H3,(H,16,19).
What are the key properties of 6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 266.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 80758142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).