2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide

C11H12FN3O3 — CID 80758675

IUPAC2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C11H12FN3O3/c1-15(4-9(13)16)8-3-7-5(2-6(8)12)10(17)11(18)14-7/h2-3,10,17H,4H2,1H3,(H2,13,16)(H,14,18)
InChIKeyPTTQUGGHBLFKNN-UHFFFAOYSA-N
MW253.23 g/mol
LogP-0.27
Rot. Bonds3

About 2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide

2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide (PubChem CID 80758675) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide
PubChem CID80758675
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC Name2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C11H12FN3O3/c1-15(4-9(13)16)8-3-7-5(2-6(8)12)10(17)11(18)14-7/h2-3,10,17H,4H2,1H3,(H2,13,16)(H,14,18)
InChIKeyPTTQUGGHBLFKNN-UHFFFAOYSA-N
XLogP-0.27
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide?
The IUPAC name of 2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide (CID 80758675) is 2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide.
What is the SMILES notation for 2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide?
The canonical SMILES for 2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide is CN(CC(N)=O)c1cc2c(cc1F)C(O)C(=O)N2.
What is the InChIKey of 2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide?
The InChIKey is PTTQUGGHBLFKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c1-15(4-9(13)16)8-3-7-5(2-6(8)12)10(17)11(18)14-7/h2-3,10,17H,4H2,1H3,(H2,13,16)(H,14,18).
What are the key properties of 2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide?
2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide has a molecular weight of 253.23 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide is sourced from PubChem (CID 80758675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).