3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione

C16H20FN3O2 — CID 95048524

IUPAC3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCN1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O2/c17-13-6-4-12(5-7-13)14-3-1-8-19(14)9-2-10-20-15(21)11-18-16(20)22/h4-7,14H,1-3,8-11H2,(H,18,22)/t14-/m1/s1
InChIKeyWTMNANSOGUJDGL-CQSZACIVSA-N
MW305.35 g/mol
LogP1.90
Rot. Bonds5

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

3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione (PubChem CID 95048524) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione
PubChem CID95048524
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCN1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O2/c17-13-6-4-12(5-7-13)14-3-1-8-19(14)9-2-10-20-15(21)11-18-16(20)22/h4-7,14H,1-3,8-11H2,(H,18,22)/t14-/m1/s1
InChIKeyWTMNANSOGUJDGL-CQSZACIVSA-N
XLogP1.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione (CID 95048524) is 3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCCN1CCC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is WTMNANSOGUJDGL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20FN3O2/c17-13-6-4-12(5-7-13)14-3-1-8-19(14)9-2-10-20-15(21)11-18-16(20)22/h4-7,14H,1-3,8-11H2,(H,18,22)/t14-/m1/s1.
What are the key properties of 3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione?
3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 305.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95048524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).