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

C13H15FN2O — CID 110700222

IUPAC2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O/c1-2-5-15-13(17)6-9-8-16-12-4-3-10(14)7-11(9)12/h3-4,7-8,16H,2,5-6H2,1H3,(H,15,17)
InChIKeyJIKCVCRTOMRVDO-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.38
Rot. Bonds4

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

2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide (PubChem CID 110700222) 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-propylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
PubChem CID110700222
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O/c1-2-5-15-13(17)6-9-8-16-12-4-3-10(14)7-11(9)12/h3-4,7-8,16H,2,5-6H2,1H3,(H,15,17)
InChIKeyJIKCVCRTOMRVDO-UHFFFAOYSA-N
XLogP2.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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
2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide
CID 54519508
2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide
CID 111972304
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
2-[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide;hydroiodide
CID 111972523
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-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209328
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
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide (CID 110700222) is 2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide is CCCNC(=O)Cc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide?
The InChIKey is JIKCVCRTOMRVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-2-5-15-13(17)6-9-8-16-12-4-3-10(14)7-11(9)12/h3-4,7-8,16H,2,5-6H2,1H3,(H,15,17).
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide?
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide has a molecular weight of 234.27 g/mol, XLogP of 2.38, 4 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-propylacetamide is sourced from PubChem (CID 110700222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).