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

C15H14ClFN2O3 — CID 41070149

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClFN2O3/c16-12-7-10(17)6-5-9(12)8-18-13(20)14(21)19(15(18)22)11-3-1-2-4-11/h5-7,11H,1-4,8H2
InChIKeyKRIAYWRQPFWDRI-UHFFFAOYSA-N
MW324.74 g/mol
LogP2.71
Rot. Bonds3

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

1-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione (PubChem CID 41070149) has the molecular formula C15H14ClFN2O3 and a molecular weight of 324.74 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione
PubChem CID41070149
Molecular FormulaC15H14ClFN2O3
Molecular Weight324.74 g/mol
Exact Mass324.07
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClFN2O3/c16-12-7-10(17)6-5-9(12)8-18-13(20)14(21)19(15(18)22)11-3-1-2-4-11/h5-7,11H,1-4,8H2
InChIKeyKRIAYWRQPFWDRI-UHFFFAOYSA-N
XLogP2.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 52.71
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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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione
CID 7756296
1-[(2-chloro-4-fluorophenyl)methyl]-2-cyclooctyl-4,4-dimethyldiazetidin-3-one
CID 59361398
2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773635
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
N-(2-chloro-4-fluorophenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800427
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 46249807
2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79544630
1-[2-(4-chlorophenoxy)ethyl]-3-cyclopentylimidazolidine-2,4,5-trione
CID 2663052
2-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 19583337
1-(2-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139931
1-(2-aminocyclohexyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 116579921
2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
CID 62359472

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione (CID 41070149) is 1-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione is O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The InChIKey is KRIAYWRQPFWDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3/c16-12-7-10(17)6-5-9(12)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-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione?
1-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione has a molecular weight of 324.74 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione is sourced from PubChem (CID 41070149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).