(3-fluorophenyl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate

C14H15FN2O4 — CID 24686300

IUPAC(3-fluorophenyl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate
SMILESO=C(CCCN1C(=O)CNC1=O)OCc1cccc(F)c1
InChIInChI=1S/C14H15FN2O4/c15-11-4-1-3-10(7-11)9-21-13(19)5-2-6-17-12(18)8-16-14(17)20/h1,3-4,7H,2,5-6,8-9H2,(H,16,20)
InChIKeyHJLMHZLGKGECFW-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.20
Rot. Bonds6

About (3-fluorophenyl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate

(3-fluorophenyl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate (PubChem CID 24686300) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate
PubChem CID24686300
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name(3-fluorophenyl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate
SMILESO=C(CCCN1C(=O)CNC1=O)OCc1cccc(F)c1
InChIInChI=1S/C14H15FN2O4/c15-11-4-1-3-10(7-11)9-21-13(19)5-2-6-17-12(18)8-16-14(17)20/h1,3-4,7H,2,5-6,8-9H2,(H,16,20)
InChIKeyHJLMHZLGKGECFW-UHFFFAOYSA-N
XLogP1.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-fluorophenyl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78760378
5-O-[(3-fluorophenyl)methyl] 1-O-undecyl pentanedioate
CID 91707222
(2,3-dimethylphenyl) 4-(2,5-dioxoimidazolidin-1-yl)butanoate
CID 87011719
(3-fluorophenyl)methyl 2-cyclopentylacetate
CID 78760193
benzyl 18-(2,5-dioxopyrrolidin-1-yl)octadecanoate
CID 135350418
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate
CID 8588347
4-(2,5-dioxoimidazolidin-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]butanamide
CID 87045407
(3-fluorophenyl)methyl 4-(thiophene-2-carbonylamino)butanoate
CID 86977749
3-(2-phenylmethoxyethyl)imidazolidine-2,4-dione
CID 19829208
(3-fluorophenyl)methyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 46684709
bis[(3-methylphenyl)methyl] pentanedioate
CID 91711013
bis[(3-bromophenyl)methyl] pentanedioate
CID 91708477

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate?
The IUPAC name of (3-fluorophenyl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate (CID 24686300) is (3-fluorophenyl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate.
What is the SMILES notation for (3-fluorophenyl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate?
The canonical SMILES for (3-fluorophenyl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate is O=C(CCCN1C(=O)CNC1=O)OCc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate?
The InChIKey is HJLMHZLGKGECFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c15-11-4-1-3-10(7-11)9-21-13(19)5-2-6-17-12(18)8-16-14(17)20/h1,3-4,7H,2,5-6,8-9H2,(H,16,20).
What are the key properties of (3-fluorophenyl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate?
(3-fluorophenyl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate has a molecular weight of 294.28 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 4-(2,5-dioxoimidazolidin-1-yl)butanoate is sourced from PubChem (CID 24686300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).