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

C17H20F3N3O3 — CID 4915963

IUPACN-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1(C(F)(F)F)NC(=O)N(C(C)c2ccccc2)C1=O
InChIInChI=1S/C17H20F3N3O3/c1-10(2)9-13(24)21-16(17(18,19)20)14(25)23(15(26)22-16)11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyZHUVEWOFGNBSRN-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.72
Rot. Bonds5

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

N-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide (PubChem CID 4915963) has the molecular formula C17H20F3N3O3 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide
PubChem CID4915963
Molecular FormulaC17H20F3N3O3
Molecular Weight371.36 g/mol
Exact Mass371.15
IUPAC NameN-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1(C(F)(F)F)NC(=O)N(C(C)c2ccccc2)C1=O
InChIInChI=1S/C17H20F3N3O3/c1-10(2)9-13(24)21-16(17(18,19)20)14(25)23(15(26)22-16)11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyZHUVEWOFGNBSRN-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.72
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-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide (CID 4915963) is N-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide is CC(C)CC(=O)NC1(C(F)(F)F)NC(=O)N(C(C)c2ccccc2)C1=O.
What is the InChIKey of N-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide?
The InChIKey is ZHUVEWOFGNBSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O3/c1-10(2)9-13(24)21-16(17(18,19)20)14(25)23(15(26)22-16)11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,21,24)(H,22,26).
What are the key properties of N-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide?
N-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide has a molecular weight of 371.36 g/mol, XLogP of 2.72, 5 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-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 4915963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).