[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

C15H15ClFN3O5 — CID 7209551

IUPAC[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2cc(Cl)ccc2F)C1=O
InChIInChI=1S/C15H15ClFN3O5/c1-15(2)13(23)20(14(24)19-15)6-12(22)25-7-11(21)18-10-5-8(16)3-4-9(10)17/h3-5H,6-7H2,1-2H3,(H,18,21)(H,19,24)
InChIKeyYXGZAVGEBVGEAA-UHFFFAOYSA-N
MW371.75 g/mol
LogP1.29
Rot. Bonds5

About [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 7209551) has the molecular formula C15H15ClFN3O5 and a molecular weight of 371.75 g/mol. Its IUPAC name is [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID7209551
Molecular FormulaC15H15ClFN3O5
Molecular Weight371.75 g/mol
Exact Mass371.07
IUPAC Name[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2cc(Cl)ccc2F)C1=O
InChIInChI=1S/C15H15ClFN3O5/c1-15(2)13(23)20(14(24)19-15)6-12(22)25-7-11(21)18-10-5-8(16)3-4-9(10)17/h3-5H,6-7H2,1-2H3,(H,18,21)(H,19,24)
InChIKeyYXGZAVGEBVGEAA-UHFFFAOYSA-N
XLogP1.29
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.75
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 7209551) is [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2cc(Cl)ccc2F)C1=O.
What is the InChIKey of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is YXGZAVGEBVGEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O5/c1-15(2)13(23)20(14(24)19-15)6-12(22)25-7-11(21)18-10-5-8(16)3-4-9(10)17/h3-5H,6-7H2,1-2H3,(H,18,21)(H,19,24).
What are the key properties of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 371.75 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 7209551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).