N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxolane-2-carboxamide

C14H15F3N2O3 — CID 24981771

IUPACN-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxolane-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCCO1
InChIInChI=1S/C14H15F3N2O3/c1-19(14(21)10-3-2-6-22-10)7-11(20)18-9-5-4-8(15)12(16)13(9)17/h4-5,10H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyFRBXEFKTQKLWOG-UHFFFAOYSA-N
MW316.28 g/mol
LogP1.68
Rot. Bonds4

About N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxolane-2-carboxamide

N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxolane-2-carboxamide (PubChem CID 24981771) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxolane-2-carboxamide
PubChem CID24981771
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC NameN-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxolane-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCCO1
InChIInChI=1S/C14H15F3N2O3/c1-19(14(21)10-3-2-6-22-10)7-11(20)18-9-5-4-8(15)12(16)13(9)17/h4-5,10H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyFRBXEFKTQKLWOG-UHFFFAOYSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxolane-2-carboxamide (CID 24981771) is N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxolane-2-carboxamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCCO1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxolane-2-carboxamide?
The InChIKey is FRBXEFKTQKLWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-19(14(21)10-3-2-6-22-10)7-11(20)18-9-5-4-8(15)12(16)13(9)17/h4-5,10H,2-3,6-7H2,1H3,(H,18,20).
What are the key properties of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxolane-2-carboxamide?
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxolane-2-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 24981771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).