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

C16H18F3N3O4 — CID 2962337

IUPACN-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(N2C(=O)NC(NC(=O)C(C)(C)C)(C(F)(F)F)C2=O)cc1
InChIInChI=1S/C16H18F3N3O4/c1-14(2,3)11(23)20-15(16(17,18)19)12(24)22(13(25)21-15)9-5-7-10(26-4)8-6-9/h5-8H,1-4H3,(H,20,23)(H,21,25)
InChIKeyGPSLSUJSAHLGSY-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.17
Rot. Bonds3

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

N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 2962337) has the molecular formula C16H18F3N3O4 and a molecular weight of 373.33 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
PubChem CID2962337
Molecular FormulaC16H18F3N3O4
Molecular Weight373.33 g/mol
Exact Mass373.12
IUPAC NameN-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(N2C(=O)NC(NC(=O)C(C)(C)C)(C(F)(F)F)C2=O)cc1
InChIInChI=1S/C16H18F3N3O4/c1-14(2,3)11(23)20-15(16(17,18)19)12(24)22(13(25)21-15)9-5-7-10(26-4)8-6-9/h5-8H,1-4H3,(H,20,23)(H,21,25)
InChIKeyGPSLSUJSAHLGSY-UHFFFAOYSA-N
XLogP2.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Hydantoin, 3-(p-methoxyphenyl)-2-thio-
CID 757480
1-(4-Methoxyphenyl)imidazolidine-2,4,5-trione
CID 4962255
1-(((4-Methoxyphenyl)amino)methyl)pyrrolidine-2,5-dione
CID 748195
8-(2-ethylbutanoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 71566538
8-(2,2-dimethylpropanoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72374761
8-pentanoyl-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72374762
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methoxyphenyl)acetamide
CID 2708830
N-[4-(difluoromethoxy)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4431476
N-ethyl-2-[3-(2-methoxyethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 5294891
N-(4-{[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl}phenyl)acetamide
CID 2965073
1-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea
CID 916288
2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2090233

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide (CID 2962337) is N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide is COc1ccc(N2C(=O)NC(NC(=O)C(C)(C)C)(C(F)(F)F)C2=O)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is GPSLSUJSAHLGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O4/c1-14(2,3)11(23)20-15(16(17,18)19)12(24)22(13(25)21-15)9-5-7-10(26-4)8-6-9/h5-8H,1-4H3,(H,20,23)(H,21,25).
What are the key properties of N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide?
N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 373.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 2962337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).