2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

C12H10FN3O4 — CID 2767620

IUPAC2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESNC(=O)CN1C(=O)C(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C12H10FN3O4/c13-8-3-1-7(2-4-8)5-15-10(18)11(19)16(12(15)20)6-9(14)17/h1-4H,5-6H2,(H2,14,17)
InChIKeyPAJSHHXSSDJZIL-UHFFFAOYSA-N
MW279.23 g/mol
LogP-0.40
Rot. Bonds4

About 2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 2767620) has the molecular formula C12H10FN3O4 and a molecular weight of 279.23 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID2767620
Molecular FormulaC12H10FN3O4
Molecular Weight279.23 g/mol
Exact Mass279.07
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESNC(=O)CN1C(=O)C(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C12H10FN3O4/c13-8-3-1-7(2-4-8)5-15-10(18)11(19)16(12(15)20)6-9(14)17/h1-4H,5-6H2,(H2,14,17)
InChIKeyPAJSHHXSSDJZIL-UHFFFAOYSA-N
XLogP-0.40
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 2767620) is 2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is NC(=O)CN1C(=O)C(=O)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is PAJSHHXSSDJZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4/c13-8-3-1-7(2-4-8)5-15-10(18)11(19)16(12(15)20)6-9(14)17/h1-4H,5-6H2,(H2,14,17).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 279.23 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2767620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).