2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide

C13H14FN3O — CID 7692762

IUPAC2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCc1cnc[nH]1
InChIInChI=1S/C13H14FN3O/c14-11-3-1-10(2-4-11)7-13(18)16-6-5-12-8-15-9-17-12/h1-4,8-9H,5-7H2,(H,15,17)(H,16,18)
InChIKeyXXAKSUPHXJYDRB-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.45
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide

2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide (PubChem CID 7692762) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
PubChem CID7692762
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCc1cnc[nH]1
InChIInChI=1S/C13H14FN3O/c14-11-3-1-10(2-4-11)7-13(18)16-6-5-12-8-15-9-17-12/h1-4,8-9H,5-7H2,(H,15,17)(H,16,18)
InChIKeyXXAKSUPHXJYDRB-UHFFFAOYSA-N
XLogP1.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide (CID 7692762) is 2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide is O=C(Cc1ccc(F)cc1)NCCc1cnc[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The InChIKey is XXAKSUPHXJYDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-11-3-1-10(2-4-11)7-13(18)16-6-5-12-8-15-9-17-12/h1-4,8-9H,5-7H2,(H,15,17)(H,16,18).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide has a molecular weight of 247.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 7692762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).