N-[2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide

C23H24F3N3O4 — CID 3527972

IUPACN-[2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC2(C(F)(F)F)NC(=O)N(CCCc3ccccc3)C2=O)cc1
InChIInChI=1S/C23H24F3N3O4/c1-15(2)33-18-12-10-17(11-13-18)19(30)27-22(23(24,25)26)20(31)29(21(32)28-22)14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,27,30)(H,28,32)
InChIKeyJJVKTZPOAKNWCA-UHFFFAOYSA-N
MW463.46 g/mol
LogP3.65
Rot. Bonds8

About N-[2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide

N-[2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide (PubChem CID 3527972) has the molecular formula C23H24F3N3O4 and a molecular weight of 463.46 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide
PubChem CID3527972
Molecular FormulaC23H24F3N3O4
Molecular Weight463.46 g/mol
Exact Mass463.17
IUPAC NameN-[2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC2(C(F)(F)F)NC(=O)N(CCCc3ccccc3)C2=O)cc1
InChIInChI=1S/C23H24F3N3O4/c1-15(2)33-18-12-10-17(11-13-18)19(30)27-22(23(24,25)26)20(31)29(21(32)28-22)14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,27,30)(H,28,32)
InChIKeyJJVKTZPOAKNWCA-UHFFFAOYSA-N
XLogP3.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide (CID 3527972) is N-[2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC2(C(F)(F)F)NC(=O)N(CCCc3ccccc3)C2=O)cc1.
What is the InChIKey of N-[2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide?
The InChIKey is JJVKTZPOAKNWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O4/c1-15(2)33-18-12-10-17(11-13-18)19(30)27-22(23(24,25)26)20(31)29(21(32)28-22)14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,27,30)(H,28,32).
What are the key properties of N-[2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide?
N-[2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide has a molecular weight of 463.46 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 3527972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).