N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide

C16H18F3N3O5 — CID 2969145

IUPACN-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
SMILESCOc1ccc(CCN2C(=O)NC(NC(C)=O)(C(F)(F)F)C2=O)cc1OC
InChIInChI=1S/C16H18F3N3O5/c1-9(23)20-15(16(17,18)19)13(24)22(14(25)21-15)7-6-10-4-5-11(26-2)12(8-10)27-3/h4-5,8H,6-7H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyZCLJYTMWXFFOAF-UHFFFAOYSA-N
MW389.33 g/mol
LogP1.19
Rot. Bonds6

About N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide

N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide (PubChem CID 2969145) has the molecular formula C16H18F3N3O5 and a molecular weight of 389.33 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
PubChem CID2969145
Molecular FormulaC16H18F3N3O5
Molecular Weight389.33 g/mol
Exact Mass389.12
IUPAC NameN-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
SMILESCOc1ccc(CCN2C(=O)NC(NC(C)=O)(C(F)(F)F)C2=O)cc1OC
InChIInChI=1S/C16H18F3N3O5/c1-9(23)20-15(16(17,18)19)13(24)22(14(25)21-15)7-6-10-4-5-11(26-2)12(8-10)27-3/h4-5,8H,6-7H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyZCLJYTMWXFFOAF-UHFFFAOYSA-N
XLogP1.19
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide (CID 2969145) is N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide is COc1ccc(CCN2C(=O)NC(NC(C)=O)(C(F)(F)F)C2=O)cc1OC.
What is the InChIKey of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
The InChIKey is ZCLJYTMWXFFOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O5/c1-9(23)20-15(16(17,18)19)13(24)22(14(25)21-15)7-6-10-4-5-11(26-2)12(8-10)27-3/h4-5,8H,6-7H2,1-3H3,(H,20,23)(H,21,25).
What are the key properties of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide has a molecular weight of 389.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 2969145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).