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

C16H18F3N3O3 — CID 3743019

IUPACN-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H18F3N3O3/c1-14(2,3)11(23)20-15(16(17,18)19)12(24)22(13(25)21-15)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyAHMOOBSBSYNVKZ-UHFFFAOYSA-N
MW357.33 g/mol
LogP2.16
Rot. Bonds3

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

N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 3743019) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
PubChem CID3743019
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC NameN-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H18F3N3O3/c1-14(2,3)11(23)20-15(16(17,18)19)12(24)22(13(25)21-15)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyAHMOOBSBSYNVKZ-UHFFFAOYSA-N
XLogP2.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
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-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide (CID 3743019) is N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-benzyl-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(Cc2ccccc2)C1=O.
What is the InChIKey of N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is AHMOOBSBSYNVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-14(2,3)11(23)20-15(16(17,18)19)12(24)22(13(25)21-15)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,20,23)(H,21,25).
What are the key properties of N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide?
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 357.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 3743019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).