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

C14H15F3N2O3 — CID 97213402

IUPAC(3R)-N-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)[C@H]1COc2ccccc21
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)/t10-/m0/s1
InChIKeyHXLMTXVWGYEDLN-JTQLQIEISA-N
MW316.28 g/mol
LogP1.30
Rot. Bonds4

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

(3R)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 97213402) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is (3R)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID97213402
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name(3R)-N-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)[C@H]1COc2ccccc21
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)/t10-/m0/s1
InChIKeyHXLMTXVWGYEDLN-JTQLQIEISA-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

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3R)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 97213402) is (3R)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3R)-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)[C@H]1COc2ccccc21.
What is the InChIKey of (3R)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is HXLMTXVWGYEDLN-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of (3R)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
(3R)-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 (3R)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 97213402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).