1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione

C15H14BrFN2O3 — CID 7756296

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1Cc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrFN2O3/c16-10-6-5-9(12(17)7-10)8-18-13(20)14(21)19(15(18)22)11-3-1-2-4-11/h5-7,11H,1-4,8H2
InChIKeyPLNNUNRSVBYHNU-UHFFFAOYSA-N
MW369.19 g/mol
LogP2.82
Rot. Bonds3

About 1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione

1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione (PubChem CID 7756296) has the molecular formula C15H14BrFN2O3 and a molecular weight of 369.19 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione
PubChem CID7756296
Molecular FormulaC15H14BrFN2O3
Molecular Weight369.19 g/mol
Exact Mass368.02
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1Cc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrFN2O3/c16-10-6-5-9(12(17)7-10)8-18-13(20)14(21)19(15(18)22)11-3-1-2-4-11/h5-7,11H,1-4,8H2
InChIKeyPLNNUNRSVBYHNU-UHFFFAOYSA-N
XLogP2.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.19
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione (CID 7756296) is 1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione is O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1ccc(Br)cc1F.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The InChIKey is PLNNUNRSVBYHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O3/c16-10-6-5-9(12(17)7-10)8-18-13(20)14(21)19(15(18)22)11-3-1-2-4-11/h5-7,11H,1-4,8H2.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione?
1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione has a molecular weight of 369.19 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione is sourced from PubChem (CID 7756296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).