N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide

C12H9F4N3O3 — CID 2966964

IUPACN-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C12H9F4N3O3/c1-6(20)17-11(12(14,15)16)9(21)19(10(22)18-11)8-4-2-7(13)3-5-8/h2-5H,1H3,(H,17,20)(H,18,22)
InChIKeyFLTJPGZBKXBYPC-UHFFFAOYSA-N
MW319.21 g/mol
LogP1.28
Rot. Bonds2

About N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide

N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide (PubChem CID 2966964) has the molecular formula C12H9F4N3O3 and a molecular weight of 319.21 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
PubChem CID2966964
Molecular FormulaC12H9F4N3O3
Molecular Weight319.21 g/mol
Exact Mass319.06
IUPAC NameN-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C12H9F4N3O3/c1-6(20)17-11(12(14,15)16)9(21)19(10(22)18-11)8-4-2-7(13)3-5-8/h2-5H,1H3,(H,17,20)(H,18,22)
InChIKeyFLTJPGZBKXBYPC-UHFFFAOYSA-N
XLogP1.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide (CID 2966964) is N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide is CC(=O)NC1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
The InChIKey is FLTJPGZBKXBYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O3/c1-6(20)17-11(12(14,15)16)9(21)19(10(22)18-11)8-4-2-7(13)3-5-8/h2-5H,1H3,(H,17,20)(H,18,22).
What are the key properties of N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide has a molecular weight of 319.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 2966964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).