N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide

C15H16F3N3O3 — CID 2967472

IUPACN-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1(C(F)(F)F)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H16F3N3O3/c1-9(2)8-11(22)19-14(15(16,17)18)12(23)21(13(24)20-14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyAHAUFNQJGOQLLO-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.16
Rot. Bonds4

About N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide

N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide (PubChem CID 2967472) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide
PubChem CID2967472
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC NameN-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1(C(F)(F)F)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H16F3N3O3/c1-9(2)8-11(22)19-14(15(16,17)18)12(23)21(13(24)20-14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyAHAUFNQJGOQLLO-UHFFFAOYSA-N
XLogP2.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.16
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-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide (CID 2967472) is N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide is CC(C)CC(=O)NC1(C(F)(F)F)NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide?
The InChIKey is AHAUFNQJGOQLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-9(2)8-11(22)19-14(15(16,17)18)12(23)21(13(24)20-14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide?
N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide has a molecular weight of 343.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 2967472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).