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

C20H20FN3O — CID 45217936

IUPAC3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1F)NCCc1cnc[nH]1
InChIInChI=1S/C20H20FN3O/c21-19-9-5-4-8-17(19)18(15-6-2-1-3-7-15)12-20(25)23-11-10-16-13-22-14-24-16/h1-9,13-14,18H,10-12H2,(H,22,24)(H,23,25)
InChIKeyJADDIALXTREYKG-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.43
Rot. Bonds7

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

3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide (PubChem CID 45217936) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
PubChem CID45217936
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1F)NCCc1cnc[nH]1
InChIInChI=1S/C20H20FN3O/c21-19-9-5-4-8-17(19)18(15-6-2-1-3-7-15)12-20(25)23-11-10-16-13-22-14-24-16/h1-9,13-14,18H,10-12H2,(H,22,24)(H,23,25)
InChIKeyJADDIALXTREYKG-UHFFFAOYSA-N
XLogP3.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide (CID 45217936) is 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1F)NCCc1cnc[nH]1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide?
The InChIKey is JADDIALXTREYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-19-9-5-4-8-17(19)18(15-6-2-1-3-7-15)12-20(25)23-11-10-16-13-22-14-24-16/h1-9,13-14,18H,10-12H2,(H,22,24)(H,23,25).
What are the key properties of 3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide?
3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide has a molecular weight of 337.40 g/mol, XLogP of 3.43, 7 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]-3-phenylpropanamide is sourced from PubChem (CID 45217936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).