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

C13H14FN3O — CID 110684086

IUPACN-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1cnc[nH]1)NCCc1ccccc1F
InChIInChI=1S/C13H14FN3O/c14-12-4-2-1-3-10(12)5-6-16-13(18)7-11-8-15-9-17-11/h1-4,8-9H,5-7H2,(H,15,17)(H,16,18)
InChIKeyQKQPADRNWPQHHW-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.45
Rot. Bonds5

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

N-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide (PubChem CID 110684086) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide
PubChem CID110684086
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1cnc[nH]1)NCCc1ccccc1F
InChIInChI=1S/C13H14FN3O/c14-12-4-2-1-3-10(12)5-6-16-13(18)7-11-8-15-9-17-11/h1-4,8-9H,5-7H2,(H,15,17)(H,16,18)
InChIKeyQKQPADRNWPQHHW-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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Related Compounds

3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 112532409
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide
CID 166254376
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
2-[(4-chlorophenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 46987858
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide
CID 70183155

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide (CID 110684086) is N-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide is O=C(Cc1cnc[nH]1)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is QKQPADRNWPQHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-12-4-2-1-3-10(12)5-6-16-13(18)7-11-8-15-9-17-11/h1-4,8-9H,5-7H2,(H,15,17)(H,16,18).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)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 N-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 110684086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).