2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide

C15H15FN4O4 — CID 97136714

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESO=C(CN1C(=O)CNC1=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C15H15FN4O4/c16-9-1-3-11(4-2-9)19-7-10(5-13(19)22)18-12(21)8-20-14(23)6-17-15(20)24/h1-4,10H,5-8H2,(H,17,24)(H,18,21)/t10-/m1/s1
InChIKeyYLVLFKHLIJVOAV-SNVBAGLBSA-N
MW334.31 g/mol
LogP-0.40
Rot. Bonds4

About 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 97136714) has the molecular formula C15H15FN4O4 and a molecular weight of 334.31 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
PubChem CID97136714
Molecular FormulaC15H15FN4O4
Molecular Weight334.31 g/mol
Exact Mass334.11
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
SMILESO=C(CN1C(=O)CNC1=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C15H15FN4O4/c16-9-1-3-11(4-2-9)19-7-10(5-13(19)22)18-12(21)8-20-14(23)6-17-15(20)24/h1-4,10H,5-8H2,(H,17,24)(H,18,21)/t10-/m1/s1
InChIKeyYLVLFKHLIJVOAV-SNVBAGLBSA-N
XLogP-0.40
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 97136715
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387
2-(4-fluorophenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254979
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 91770090
3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 16822301
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563649
N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 7563674
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564007
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564006
2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971184
1-cyclopentyl-3-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548063

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide (CID 97136714) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide is O=C(CN1C(=O)CNC1=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is YLVLFKHLIJVOAV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15FN4O4/c16-9-1-3-11(4-2-9)19-7-10(5-13(19)22)18-12(21)8-20-14(23)6-17-15(20)24/h1-4,10H,5-8H2,(H,17,24)(H,18,21)/t10-/m1/s1.
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 334.31 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 97136714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).