2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide

C14H13F3N2O2 — CID 136709027

IUPAC2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide
SMILESCCC/C(=N\C(=O)C(F)(F)F)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C14H13F3N2O2/c1-2-5-10(19-13(21)14(15,16)17)11-8-6-3-4-7-9(8)18-12(11)20/h3-4,6-7,18,20H,2,5H2,1H3/b19-10+
InChIKeyNJPWEQXTJXKFGY-VXLYETTFSA-N
MW298.26 g/mol
LogP3.55
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide

2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide (PubChem CID 136709027) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide
PubChem CID136709027
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide
SMILESCCC/C(=N\C(=O)C(F)(F)F)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C14H13F3N2O2/c1-2-5-10(19-13(21)14(15,16)17)11-8-6-3-4-7-9(8)18-12(11)20/h3-4,6-7,18,20H,2,5H2,1H3/b19-10+
InChIKeyNJPWEQXTJXKFGY-VXLYETTFSA-N
XLogP3.55
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide (CID 136709027) is 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide is CCC/C(=N\C(=O)C(F)(F)F)c1c(O)[nH]c2ccccc12.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide?
The InChIKey is NJPWEQXTJXKFGY-VXLYETTFSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-2-5-10(19-13(21)14(15,16)17)11-8-6-3-4-7-9(8)18-12(11)20/h3-4,6-7,18,20H,2,5H2,1H3/b19-10+.
What are the key properties of 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide?
2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide has a molecular weight of 298.26 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(2-hydroxy-1H-indol-3-yl)butylidene]acetamide is sourced from PubChem (CID 136709027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).