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

C15H15F4N3O3 — CID 3697485

IUPACN-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(C(F)(F)F)NC(=O)N(c2ccccc2F)C1=O
InChIInChI=1S/C15H15F4N3O3/c1-13(2,3)10(23)20-14(15(17,18)19)11(24)22(12(25)21-14)9-7-5-4-6-8(9)16/h4-7H,1-3H3,(H,20,23)(H,21,25)
InChIKeyTYRJVWYQDBNRDL-UHFFFAOYSA-N
MW361.30 g/mol
LogP2.30
Rot. Bonds2

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

N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 3697485) has the molecular formula C15H15F4N3O3 and a molecular weight of 361.30 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
PubChem CID3697485
Molecular FormulaC15H15F4N3O3
Molecular Weight361.30 g/mol
Exact Mass361.10
IUPAC NameN-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(C(F)(F)F)NC(=O)N(c2ccccc2F)C1=O
InChIInChI=1S/C15H15F4N3O3/c1-13(2,3)10(23)20-14(15(17,18)19)11(24)22(12(25)21-14)9-7-5-4-6-8(9)16/h4-7H,1-3H3,(H,20,23)(H,21,25)
InChIKeyTYRJVWYQDBNRDL-UHFFFAOYSA-N
XLogP2.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 52.30
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-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide (CID 3697485) is N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1(C(F)(F)F)NC(=O)N(c2ccccc2F)C1=O.
What is the InChIKey of N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is TYRJVWYQDBNRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O3/c1-13(2,3)10(23)20-14(15(17,18)19)11(24)22(12(25)21-14)9-7-5-4-6-8(9)16/h4-7H,1-3H3,(H,20,23)(H,21,25).
What are the key properties of N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide?
N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 361.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 3697485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).