N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

C20H20F3NO3 — CID 55461951

IUPACN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1cc2c(cc1NC(=O)Cc1ccc(C(F)(F)F)cc1)OC(C)C2
InChIInChI=1S/C20H20F3NO3/c1-3-26-18-10-14-8-12(2)27-17(14)11-16(18)24-19(25)9-13-4-6-15(7-5-13)20(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,25)
InChIKeyKYUIMRYABFZKHW-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.61
Rot. Bonds5

About N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 55461951) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID55461951
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1cc2c(cc1NC(=O)Cc1ccc(C(F)(F)F)cc1)OC(C)C2
InChIInChI=1S/C20H20F3NO3/c1-3-26-18-10-14-8-12(2)27-17(14)11-16(18)24-19(25)9-13-4-6-15(7-5-13)20(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,25)
InChIKeyKYUIMRYABFZKHW-UHFFFAOYSA-N
XLogP4.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 134045707
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide
CID 60584787
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide
CID 25336231
5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide
CID 43347022
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)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18126896
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24529752
3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride
CID 120608429
N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55462433
tert-butyl N-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]phenyl]carbamate
CID 55454285
N-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 42896149
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
CID 40855512

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 55461951) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is CCOc1cc2c(cc1NC(=O)Cc1ccc(C(F)(F)F)cc1)OC(C)C2.
What is the InChIKey of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KYUIMRYABFZKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-3-26-18-10-14-8-12(2)27-17(14)11-16(18)24-19(25)9-13-4-6-15(7-5-13)20(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,25).
What are the key properties of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 379.38 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 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-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55461951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).