N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C15H15F3N2O4 — CID 18112790

IUPACN-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1=COCCO1
InChIInChI=1S/C15H15F3N2O4/c1-20(14(22)12-9-23-6-7-24-12)8-13(21)19-11-5-3-2-4-10(11)15(16,17)18/h2-5,9H,6-8H2,1H3,(H,19,21)
InChIKeyCAAIRNQAYIPPHQ-UHFFFAOYSA-N
MW344.29 g/mol
LogP1.99
Rot. Bonds4

About N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 18112790) has the molecular formula C15H15F3N2O4 and a molecular weight of 344.29 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID18112790
Molecular FormulaC15H15F3N2O4
Molecular Weight344.29 g/mol
Exact Mass344.10
IUPAC NameN-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1=COCCO1
InChIInChI=1S/C15H15F3N2O4/c1-20(14(22)12-9-23-6-7-24-12)8-13(21)19-11-5-3-2-4-10(11)15(16,17)18/h2-5,9H,6-8H2,1H3,(H,19,21)
InChIKeyCAAIRNQAYIPPHQ-UHFFFAOYSA-N
XLogP1.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 18112790) is N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1=COCCO1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is CAAIRNQAYIPPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O4/c1-20(14(22)12-9-23-6-7-24-12)8-13(21)19-11-5-3-2-4-10(11)15(16,17)18/h2-5,9H,6-8H2,1H3,(H,19,21).
What are the key properties of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 344.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 18112790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).