1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

C16H18FN3O3 — CID 141450745

IUPAC1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESCCN1CC(=O)N([C@@H]2CCN(C(=O)c3ccccc3F)C2)C1=O
InChIInChI=1S/C16H18FN3O3/c1-2-18-10-14(21)20(16(18)23)11-7-8-19(9-11)15(22)12-5-3-4-6-13(12)17/h3-6,11H,2,7-10H2,1H3/t11-/m1/s1
InChIKeyPAFQGHXVDOSYRV-LLVKDONJSA-N
MW319.34 g/mol
LogP1.32
Rot. Bonds3

About 1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 141450745) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID141450745
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESCCN1CC(=O)N([C@@H]2CCN(C(=O)c3ccccc3F)C2)C1=O
InChIInChI=1S/C16H18FN3O3/c1-2-18-10-14(21)20(16(18)23)11-7-8-19(9-11)15(22)12-5-3-4-6-13(12)17/h3-6,11H,2,7-10H2,1H3/t11-/m1/s1
InChIKeyPAFQGHXVDOSYRV-LLVKDONJSA-N
XLogP1.32
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[(3R)-1-[2-fluoro-5-[(3-oxo-2-benzofuran-1-ylidene)methyl]benzoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 154231043
3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726928
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 80667822
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
methyl 2-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]sulfanylacetate
CID 99981976
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
1-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 33464627
1-[1-[1-(2-fluorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 134799253
2-(2,3-difluorobenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855932
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
3-[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726885
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 141450745) is 1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is CCN1CC(=O)N([C@@H]2CCN(C(=O)c3ccccc3F)C2)C1=O.
What is the InChIKey of 1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is PAFQGHXVDOSYRV-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-2-18-10-14(21)20(16(18)23)11-7-8-19(9-11)15(22)12-5-3-4-6-13(12)17/h3-6,11H,2,7-10H2,1H3/t11-/m1/s1.
What are the key properties of 1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 319.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 141450745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).