2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

C16H18F3N3O3 — CID 74251083

IUPAC2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)CC1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C16H18F3N3O3/c1-20(9-10-6-4-5-7-11(10)16(17,18)19)13(23)8-12-14(24)22(3)15(25)21(12)2/h4-7,12H,8-9H2,1-3H3
InChIKeyCXHMWBYRTSRUNA-UHFFFAOYSA-N
MW357.33 g/mol
LogP1.95
Rot. Bonds4

About 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 74251083) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID74251083
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Name2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)CC1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C16H18F3N3O3/c1-20(9-10-6-4-5-7-11(10)16(17,18)19)13(23)8-12-14(24)22(3)15(25)21(12)2/h4-7,12H,8-9H2,1-3H3
InChIKeyCXHMWBYRTSRUNA-UHFFFAOYSA-N
XLogP1.95
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
CID 4264496
(2S)-1-ethyl-5-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 49864952
US10285989, Example 95
CID 145996174
US10285989, Example 168
CID 145996238
US10285989, Example 169
CID 145996239
5-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione
CID 2954380
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
CID 3743019
N-cyclopentyl-2-{3-oxo-1-[2-(trifluoromethyl)benzyl]-2-piperazinyl}acetamide
CID 24817667
7-Cyclohexyl-1-[[2-(trifluoromethyl)phenyl]methyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 168292992
1-Benzyl-3-(dipropylamino)pyrrolidine-2,5-dione
CID 664673
US9815796, Example 25
CID 139267956
US9815796, Example 46
CID 139267977

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 74251083) is 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is CN(Cc1ccccc1C(F)(F)F)C(=O)CC1C(=O)N(C)C(=O)N1C.
What is the InChIKey of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is CXHMWBYRTSRUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-20(9-10-6-4-5-7-11(10)16(17,18)19)13(23)8-12-14(24)22(3)15(25)21(12)2/h4-7,12H,8-9H2,1-3H3.
What are the key properties of 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 357.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 74251083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).