N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C14H15F3N2O3 — CID 75371325

IUPACN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1COc2ccccc21
InChIInChI=1S/C14H15F3N2O3/c1-19(6-12(20)18-8-14(15,16)17)13(21)10-7-22-11-5-3-2-4-9(10)11/h2-5,10H,6-8H2,1H3,(H,18,20)
InChIKeyHXLMTXVWGYEDLN-UHFFFAOYSA-N
MW316.28 g/mol
LogP1.30
Rot. Bonds4

About N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide

N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 75371325) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID75371325
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC NameN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1COc2ccccc21
InChIInChI=1S/C14H15F3N2O3/c1-19(6-12(20)18-8-14(15,16)17)13(21)10-7-22-11-5-3-2-4-9(10)11/h2-5,10H,6-8H2,1H3,(H,18,20)
InChIKeyHXLMTXVWGYEDLN-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-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-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 75371325) is N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)C1COc2ccccc21.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is HXLMTXVWGYEDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-19(6-12(20)18-8-14(15,16)17)13(21)10-7-22-11-5-3-2-4-9(10)11/h2-5,10H,6-8H2,1H3,(H,18,20).
What are the key properties of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 1.30, 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-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 75371325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).