3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide

C20H25FN4O2 — CID 56906789

IUPAC3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
SMILESCCc1nccn1CCC(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C20H25FN4O2/c1-2-18-22-9-12-24(18)11-8-19(26)23-17-13-20(27)25(14-17)10-7-15-3-5-16(21)6-4-15/h3-6,9,12,17H,2,7-8,10-11,13-14H2,1H3,(H,23,26)
InChIKeyVMAAIANLSMUXBL-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.93
Rot. Bonds8

About 3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide

3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 56906789) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
PubChem CID56906789
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
SMILESCCc1nccn1CCC(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C20H25FN4O2/c1-2-18-22-9-12-24(18)11-8-19(26)23-17-13-20(27)25(14-17)10-7-15-3-5-16(21)6-4-15/h3-6,9,12,17H,2,7-8,10-11,13-14H2,1H3,(H,23,26)
InChIKeyVMAAIANLSMUXBL-UHFFFAOYSA-N
XLogP1.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
3-(2-methylimidazol-1-yl)-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 45225213
2-acetamido-N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 26334712
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 42519689
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 45181468
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 26397202
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 56906685
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-piperidin-1-ylacetamide
CID 25449003
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide
CID 110736931
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 98771605
1-N'-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide
CID 42212899
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 42189825

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide (CID 56906789) is 3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide is CCc1nccn1CCC(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide?
The InChIKey is VMAAIANLSMUXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-2-18-22-9-12-24(18)11-8-19(26)23-17-13-20(27)25(14-17)10-7-15-3-5-16(21)6-4-15/h3-6,9,12,17H,2,7-8,10-11,13-14H2,1H3,(H,23,26).
What are the key properties of 3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide?
3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide has a molecular weight of 372.44 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 56906789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).