N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide

C12H13FN2O — CID 699127

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChIKeyUDLASALUJLTGJV-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.99
Rot. Bonds3

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide (PubChem CID 699127) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide
PubChem CID699127
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChIKeyUDLASALUJLTGJV-UHFFFAOYSA-N
XLogP1.99
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide (CID 699127) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide is CC(=O)NCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is UDLASALUJLTGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 220.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 699127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).