2,2,2-trifluoro-N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide

C12H11F3N2O3 — CID 10469339

IUPAC2,2,2-trifluoro-N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)C(F)(F)F)c(O)c21
InChIInChI=1S/C12H11F3N2O3/c1-11(2)7-5(16-9(11)19)3-4-6(8(7)18)17-10(20)12(13,14)15/h3-4,18H,1-2H3,(H,16,19)(H,17,20)
InChIKeyBDFUJGBJOQRHQB-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.12
Rot. Bonds1

About 2,2,2-trifluoro-N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide

2,2,2-trifluoro-N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide (PubChem CID 10469339) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
PubChem CID10469339
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC Name2,2,2-trifluoro-N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)C(F)(F)F)c(O)c21
InChIInChI=1S/C12H11F3N2O3/c1-11(2)7-5(16-9(11)19)3-4-6(8(7)18)17-10(20)12(13,14)15/h3-4,18H,1-2H3,(H,16,19)(H,17,20)
InChIKeyBDFUJGBJOQRHQB-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide (CID 10469339) is 2,2,2-trifluoro-N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide is CC1(C)C(=O)Nc2ccc(NC(=O)C(F)(F)F)c(O)c21.
What is the InChIKey of 2,2,2-trifluoro-N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide?
The InChIKey is BDFUJGBJOQRHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c1-11(2)7-5(16-9(11)19)3-4-6(8(7)18)17-10(20)12(13,14)15/h3-4,18H,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 2,2,2-trifluoro-N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide?
2,2,2-trifluoro-N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide has a molecular weight of 288.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide is sourced from PubChem (CID 10469339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).