3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide

C14H16FN3O — CID 112532409

IUPAC3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
SMILESO=C(CCc1ccccc1F)NCCc1cnc[nH]1
InChIInChI=1S/C14H16FN3O/c15-13-4-2-1-3-11(13)5-6-14(19)17-8-7-12-9-16-10-18-12/h1-4,9-10H,5-8H2,(H,16,18)(H,17,19)
InChIKeyUJCIALQJWLWJAV-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.84
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide

3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide (PubChem CID 112532409) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
PubChem CID112532409
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
SMILESO=C(CCc1ccccc1F)NCCc1cnc[nH]1
InChIInChI=1S/C14H16FN3O/c15-13-4-2-1-3-11(13)5-6-14(19)17-8-7-12-9-16-10-18-12/h1-4,9-10H,5-8H2,(H,16,18)(H,17,19)
InChIKeyUJCIALQJWLWJAV-UHFFFAOYSA-N
XLogP1.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684086
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 19065170
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429
3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 167113922
N-[2-(2,4-dichlorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 110697902
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylpentanamide
CID 65232151
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
CID 107910201
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide
CID 65231264
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332712

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide (CID 112532409) is 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide is O=C(CCc1ccccc1F)NCCc1cnc[nH]1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The InChIKey is UJCIALQJWLWJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-13-4-2-1-3-11(13)5-6-14(19)17-8-7-12-9-16-10-18-12/h1-4,9-10H,5-8H2,(H,16,18)(H,17,19).
What are the key properties of 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide has a molecular weight of 261.30 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 112532409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).