N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C19H19F3N2O4 — CID 134045707

IUPACN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCOc1cc2c(cc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O)OC(C)C2
InChIInChI=1S/C19H19F3N2O4/c1-3-27-16-7-12-6-11(2)28-15(12)8-14(16)23-17(25)10-24-9-13(19(20,21)22)4-5-18(24)26/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,23,25)
InChIKeyPLJNEMYFLNOAJT-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.23
Rot. Bonds5

About N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 134045707) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID134045707
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCOc1cc2c(cc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O)OC(C)C2
InChIInChI=1S/C19H19F3N2O4/c1-3-27-16-7-12-6-11(2)28-15(12)8-14(16)23-17(25)10-24-9-13(19(20,21)22)4-5-18(24)26/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,23,25)
InChIKeyPLJNEMYFLNOAJT-UHFFFAOYSA-N
XLogP3.23
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55461951
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide
CID 42934712
2-(2,3-dihydroindol-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide
CID 17487278
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide
CID 25336231
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55477803
N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 30672159
1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide
CID 24560428
5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide
CID 43347022
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 42892395
4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697390
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide
CID 60584787
5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide
CID 43034709

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 134045707) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CCOc1cc2c(cc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O)OC(C)C2.
What is the InChIKey of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is PLJNEMYFLNOAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-3-27-16-7-12-6-11(2)28-15(12)8-14(16)23-17(25)10-24-9-13(19(20,21)22)4-5-18(24)26/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,23,25).
What are the key properties of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 396.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 134045707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).