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

C13H12F3N3O4 — CID 2967256

IUPAC2-methoxy-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESCOc1ccccc1C(=O)NC1(C(F)(F)F)NC(=O)N(C)C1=O
InChIInChI=1S/C13H12F3N3O4/c1-19-10(21)12(13(14,15)16,18-11(19)22)17-9(20)7-5-3-4-6-8(7)23-2/h3-6H,1-2H3,(H,17,20)(H,18,22)
InChIKeyLOMIJFSELJOLAQ-UHFFFAOYSA-N
MW331.25 g/mol
LogP0.87
Rot. Bonds3

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

2-methoxy-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (PubChem CID 2967256) has the molecular formula C13H12F3N3O4 and a molecular weight of 331.25 g/mol. Its IUPAC name is 2-methoxy-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
PubChem CID2967256
Molecular FormulaC13H12F3N3O4
Molecular Weight331.25 g/mol
Exact Mass331.08
IUPAC Name2-methoxy-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESCOc1ccccc1C(=O)NC1(C(F)(F)F)NC(=O)N(C)C1=O
InChIInChI=1S/C13H12F3N3O4/c1-19-10(21)12(13(14,15)16,18-11(19)22)17-9(20)7-5-3-4-6-8(7)23-2/h3-6H,1-2H3,(H,17,20)(H,18,22)
InChIKeyLOMIJFSELJOLAQ-UHFFFAOYSA-N
XLogP0.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The IUPAC name of 2-methoxy-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (CID 2967256) is 2-methoxy-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is COc1ccccc1C(=O)NC1(C(F)(F)F)NC(=O)N(C)C1=O.
What is the InChIKey of 2-methoxy-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The InChIKey is LOMIJFSELJOLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O4/c1-19-10(21)12(13(14,15)16,18-11(19)22)17-9(20)7-5-3-4-6-8(7)23-2/h3-6H,1-2H3,(H,17,20)(H,18,22).
What are the key properties of 2-methoxy-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
2-methoxy-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide has a molecular weight of 331.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is sourced from PubChem (CID 2967256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).