N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide

C9H14FN3O — CID 89044179

IUPACN-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cn(CCF)cn1
InChIInChI=1S/C9H14FN3O/c1-8(14)11-4-2-9-6-13(5-3-10)7-12-9/h6-7H,2-5H2,1H3,(H,11,14)
InChIKeyRYUBTTOTGVGGFL-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.53
Rot. Bonds5

About N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide

N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide (PubChem CID 89044179) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide
PubChem CID89044179
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC NameN-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cn(CCF)cn1
InChIInChI=1S/C9H14FN3O/c1-8(14)11-4-2-9-6-13(5-3-10)7-12-9/h6-7H,2-5H2,1H3,(H,11,14)
InChIKeyRYUBTTOTGVGGFL-UHFFFAOYSA-N
XLogP0.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide (CID 89044179) is N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide is CC(=O)NCCc1cn(CCF)cn1.
What is the InChIKey of N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide?
The InChIKey is RYUBTTOTGVGGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-8(14)11-4-2-9-6-13(5-3-10)7-12-9/h6-7H,2-5H2,1H3,(H,11,14).
What are the key properties of N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide?
N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide has a molecular weight of 199.23 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 89044179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).