3-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide

C21H22FN3O — CID 45246241

IUPAC3-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide
SMILESCc1nccn1CCNC(=O)CC(c1ccccc1)c1ccccc1F
InChIInChI=1S/C21H22FN3O/c1-16-23-11-13-25(16)14-12-24-21(26)15-19(17-7-3-2-4-8-17)18-9-5-6-10-20(18)22/h2-11,13,19H,12,14-15H2,1H3,(H,24,26)
InChIKeySWZQUFYKGDJEBL-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.67
Rot. Bonds7

About 3-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide

3-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide (PubChem CID 45246241) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide
PubChem CID45246241
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name3-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide
SMILESCc1nccn1CCNC(=O)CC(c1ccccc1)c1ccccc1F
InChIInChI=1S/C21H22FN3O/c1-16-23-11-13-25(16)14-12-24-21(26)15-19(17-7-3-2-4-8-17)18-9-5-6-10-20(18)22/h2-11,13,19H,12,14-15H2,1H3,(H,24,26)
InChIKeySWZQUFYKGDJEBL-UHFFFAOYSA-N
XLogP3.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide (CID 45246241) is 3-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide is Cc1nccn1CCNC(=O)CC(c1ccccc1)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide?
The InChIKey is SWZQUFYKGDJEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-16-23-11-13-25(16)14-12-24-21(26)15-19(17-7-3-2-4-8-17)18-9-5-6-10-20(18)22/h2-11,13,19H,12,14-15H2,1H3,(H,24,26).
What are the key properties of 3-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide?
3-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide has a molecular weight of 351.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 45246241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).