N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzofuran-2-carboxamide

C22H21F3N2O4 — CID 24982486

IUPACN-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1oc2ccc(OC)cc2c1C
InChIInChI=1S/C22H21F3N2O4/c1-4-27(12-19(28)26-17-8-6-5-7-16(17)22(23,24)25)21(29)20-13(2)15-11-14(30-3)9-10-18(15)31-20/h5-11H,4,12H2,1-3H3,(H,26,28)
InChIKeyAYPHZTNIFNJKHU-UHFFFAOYSA-N
MW434.41 g/mol
LogP4.87
Rot. Bonds6

About N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzofuran-2-carboxamide

N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 24982486) has the molecular formula C22H21F3N2O4 and a molecular weight of 434.41 g/mol. Its IUPAC name is N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzofuran-2-carboxamide
PubChem CID24982486
Molecular FormulaC22H21F3N2O4
Molecular Weight434.41 g/mol
Exact Mass434.15
IUPAC NameN-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1oc2ccc(OC)cc2c1C
InChIInChI=1S/C22H21F3N2O4/c1-4-27(12-19(28)26-17-8-6-5-7-16(17)22(23,24)25)21(29)20-13(2)15-11-14(30-3)9-10-18(15)31-20/h5-11H,4,12H2,1-3H3,(H,26,28)
InChIKeyAYPHZTNIFNJKHU-UHFFFAOYSA-N
XLogP4.87
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzofuran-2-carboxamide (CID 24982486) is N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzofuran-2-carboxamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1oc2ccc(OC)cc2c1C.
What is the InChIKey of N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is AYPHZTNIFNJKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O4/c1-4-27(12-19(28)26-17-8-6-5-7-16(17)22(23,24)25)21(29)20-13(2)15-11-14(30-3)9-10-18(15)31-20/h5-11H,4,12H2,1-3H3,(H,26,28).
What are the key properties of N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzofuran-2-carboxamide?
N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 434.41 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24982486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).