2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide

C13H15FN2O2 — CID 110700233

IUPAC2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O2/c1-18-5-4-15-13(17)6-9-8-16-12-3-2-10(14)7-11(9)12/h2-3,7-8,16H,4-6H2,1H3,(H,15,17)
InChIKeyFFESCSUNJNJRAB-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.61
Rot. Bonds5

About 2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide

2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 110700233) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
PubChem CID110700233
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O2/c1-18-5-4-15-13(17)6-9-8-16-12-3-2-10(14)7-11(9)12/h2-3,7-8,16H,4-6H2,1H3,(H,15,17)
InChIKeyFFESCSUNJNJRAB-UHFFFAOYSA-N
XLogP1.61
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 110833777
2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide
CID 54519508
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111544590
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209285
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
N-[2-(dimethylamino)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209367
N-[3-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]propyl]-N-[3-[[hydroxy(methyl)boranyl]-[3-[[hydroxy(methyl)boranyl]amino]propyl]amino]propyl]-methylboronamidic acid
CID 20697046
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)indol-3-yl]propanamide
CID 71706857

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide (CID 110700233) is 2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is FFESCSUNJNJRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-18-5-4-15-13(17)6-9-8-16-12-3-2-10(14)7-11(9)12/h2-3,7-8,16H,4-6H2,1H3,(H,15,17).
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide?
2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 250.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 110700233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).