2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide

C13H15FN2O — CID 110700223

IUPAC2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O/c1-8(2)16-13(17)5-9-7-15-12-4-3-10(14)6-11(9)12/h3-4,6-8,15H,5H2,1-2H3,(H,16,17)
InChIKeyCDOBYVWWFFXFHW-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.37
Rot. Bonds3

About 2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide

2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide (PubChem CID 110700223) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
PubChem CID110700223
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O/c1-8(2)16-13(17)5-9-7-15-12-4-3-10(14)6-11(9)12/h3-4,6-8,15H,5H2,1-2H3,(H,16,17)
InChIKeyCDOBYVWWFFXFHW-UHFFFAOYSA-N
XLogP2.37
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 110700233
N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 110833777
N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51150393
2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide
CID 113209373
N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 98343615
ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
CID 172548012
N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209328
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756
2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide
CID 54519508

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide (CID 110700223) is 2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide?
The InChIKey is CDOBYVWWFFXFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-8(2)16-13(17)5-9-7-15-12-4-3-10(14)6-11(9)12/h3-4,6-8,15H,5H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide?
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide has a molecular weight of 234.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 110700223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).