3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

C13H12F3N3O3 — CID 40961378

IUPAC3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESCc1cccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C)C2=O)c1
InChIInChI=1S/C13H12F3N3O3/c1-7-4-3-5-8(6-7)9(20)17-12(13(14,15)16)10(21)19(2)11(22)18-12/h3-6H,1-2H3,(H,17,20)(H,18,22)/t12-/m1/s1
InChIKeyASWDCSZKIJFWLL-GFCCVEGCSA-N
MW315.25 g/mol
LogP1.17
Rot. Bonds2

About 3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (PubChem CID 40961378) has the molecular formula C13H12F3N3O3 and a molecular weight of 315.25 g/mol. Its IUPAC name is 3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
PubChem CID40961378
Molecular FormulaC13H12F3N3O3
Molecular Weight315.25 g/mol
Exact Mass315.08
IUPAC Name3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESCc1cccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C)C2=O)c1
InChIInChI=1S/C13H12F3N3O3/c1-7-4-3-5-8(6-7)9(20)17-12(13(14,15)16)10(21)19(2)11(22)18-12/h3-6H,1-2H3,(H,17,20)(H,18,22)/t12-/m1/s1
InChIKeyASWDCSZKIJFWLL-GFCCVEGCSA-N
XLogP1.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2043412
3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3815407
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
CID 3664545
N-[(4R)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-(trifluoromethyl)benzamide
CID 2010336
N-[(5R)-1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-methylbenzamide
CID 7303446
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2962074
N-[(4R)-1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
CID 40946848
4-tert-butyl-N-[(4S)-2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2223330
4-chloro-N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2041429
3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28922592
N-[(4S)-1-[(2,3-dimethoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-(trifluoromethyl)benzamide
CID 2024553
N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41062779

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The IUPAC name of 3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (CID 40961378) is 3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The canonical SMILES for 3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is Cc1cccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C)C2=O)c1.
What is the InChIKey of 3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The InChIKey is ASWDCSZKIJFWLL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H12F3N3O3/c1-7-4-3-5-8(6-7)9(20)17-12(13(14,15)16)10(21)19(2)11(22)18-12/h3-6H,1-2H3,(H,17,20)(H,18,22)/t12-/m1/s1.
What are the key properties of 3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide has a molecular weight of 315.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is sourced from PubChem (CID 40961378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).