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

C16H18F3N3O4 — CID 2217182

IUPACN-[(4S)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(N2C(=O)N[C@](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)/t15-/m0/s1
InChIKeyGPSLSUJSAHLGSY-HNNXBMFYSA-N
MW373.33 g/mol
LogP2.17
Rot. Bonds3

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

N-[(4S)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 2217182) has the molecular formula C16H18F3N3O4 and a molecular weight of 373.33 g/mol. Its IUPAC name is N-[(4S)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(4S)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
PubChem CID2217182
Molecular FormulaC16H18F3N3O4
Molecular Weight373.33 g/mol
Exact Mass373.12
IUPAC NameN-[(4S)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(N2C(=O)N[C@](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)/t15-/m0/s1
InChIKeyGPSLSUJSAHLGSY-HNNXBMFYSA-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

N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
CID 41063050
N-[(4R)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-phenylacetamide
CID 40918112
(5S)-5-(4-methoxyanilino)-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 40844971
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
CID 3664545
4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 17388411
N-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide
CID 42581639
N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 4275035
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 46500658
N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41062779
N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2043412
N-[(4S)-1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 92651760
N-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 42558547

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(4S)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide (CID 2217182) is N-[(4S)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(4S)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(4S)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide is COc1ccc(N2C(=O)N[C@](NC(=O)C(C)(C)C)(C(F)(F)F)C2=O)cc1.
What is the InChIKey of N-[(4S)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is GPSLSUJSAHLGSY-HNNXBMFYSA-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)/t15-/m0/s1.
What are the key properties of N-[(4S)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide?
N-[(4S)-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-[(4S)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 2217182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).