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

C16H17F3N2O4 — CID 24983022

IUPACN-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1=COCCO1
InChIInChI=1S/C16H17F3N2O4/c1-2-21(15(23)13-10-24-7-8-25-13)9-14(22)20-12-6-4-3-5-11(12)16(17,18)19/h3-6,10H,2,7-9H2,1H3,(H,20,22)
InChIKeyTUYROECOTXBIAW-UHFFFAOYSA-N
MW358.32 g/mol
LogP2.38
Rot. Bonds5

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

N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 24983022) has the molecular formula C16H17F3N2O4 and a molecular weight of 358.32 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID24983022
Molecular FormulaC16H17F3N2O4
Molecular Weight358.32 g/mol
Exact Mass358.11
IUPAC NameN-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1=COCCO1
InChIInChI=1S/C16H17F3N2O4/c1-2-21(15(23)13-10-24-7-8-25-13)9-14(22)20-12-6-4-3-5-11(12)16(17,18)19/h3-6,10H,2,7-9H2,1H3,(H,20,22)
InChIKeyTUYROECOTXBIAW-UHFFFAOYSA-N
XLogP2.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 24983022) is N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1=COCCO1.
What is the InChIKey of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is TUYROECOTXBIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O4/c1-2-21(15(23)13-10-24-7-8-25-13)9-14(22)20-12-6-4-3-5-11(12)16(17,18)19/h3-6,10H,2,7-9H2,1H3,(H,20,22).
What are the key properties of N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 24983022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).