methyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate

C17H19FN2O4 — CID 124559726

IUPACmethyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1CN1C(=O)CN(C2CCCC2)C1=O
InChIInChI=1S/C17H19FN2O4/c1-24-16(22)14-8-12(18)7-6-11(14)9-20-15(21)10-19(17(20)23)13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3
InChIKeyGPUMXHUDJFGVQE-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.32
Rot. Bonds4

About methyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate

methyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate (PubChem CID 124559726) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is methyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate
PubChem CID124559726
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Namemethyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1CN1C(=O)CN(C2CCCC2)C1=O
InChIInChI=1S/C17H19FN2O4/c1-24-16(22)14-8-12(18)7-6-11(14)9-20-15(21)10-19(17(20)23)13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3
InChIKeyGPUMXHUDJFGVQE-UHFFFAOYSA-N
XLogP2.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate?
The IUPAC name of methyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate (CID 124559726) is methyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate.
What is the SMILES notation for methyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate?
The canonical SMILES for methyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate is COC(=O)c1cc(F)ccc1CN1C(=O)CN(C2CCCC2)C1=O.
What is the InChIKey of methyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate?
The InChIKey is GPUMXHUDJFGVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-24-16(22)14-8-12(18)7-6-11(14)9-20-15(21)10-19(17(20)23)13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3.
What are the key properties of methyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate?
methyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate has a molecular weight of 334.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-cyclopentyl-2,5-dioxoimidazolidin-1-yl)methyl]-5-fluorobenzoate is sourced from PubChem (CID 124559726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).