N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide

C20H21F3N2O4 — CID 25336231

IUPACN-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide
SMILESCCOc1cc2c(cc1NC(=O)CNc1ccc(OC(F)(F)F)cc1)O[C@H](C)C2
InChIInChI=1S/C20H21F3N2O4/c1-3-27-18-9-13-8-12(2)28-17(13)10-16(18)25-19(26)11-24-14-4-6-15(7-5-14)29-20(21,22)23/h4-7,9-10,12,24H,3,8,11H2,1-2H3,(H,25,26)/t12-/m1/s1
InChIKeyIGMUFYXMBQBTJQ-GFCCVEGCSA-N
MW410.39 g/mol
LogP4.36
Rot. Bonds7

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

N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide (PubChem CID 25336231) has the molecular formula C20H21F3N2O4 and a molecular weight of 410.39 g/mol. Its IUPAC name is N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide
PubChem CID25336231
Molecular FormulaC20H21F3N2O4
Molecular Weight410.39 g/mol
Exact Mass410.15
IUPAC NameN-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide
SMILESCCOc1cc2c(cc1NC(=O)CNc1ccc(OC(F)(F)F)cc1)O[C@H](C)C2
InChIInChI=1S/C20H21F3N2O4/c1-3-27-18-9-13-8-12(2)28-17(13)10-16(18)25-19(26)11-24-14-4-6-15(7-5-14)29-20(21,22)23/h4-7,9-10,12,24H,3,8,11H2,1-2H3,(H,25,26)/t12-/m1/s1
InChIKeyIGMUFYXMBQBTJQ-GFCCVEGCSA-N
XLogP4.36
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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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
5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide
CID 43347022
N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55462433
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 134045707
(2R)-2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(4-methoxyphenyl)propanamide
CID 25376384
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 39978629
N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 39978630
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2,4-dimethylbenzamide
CID 43034703
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18126896
4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697390
(E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 17493911
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-5-methylpyrazine-2-carboxamide
CID 27901219

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide?
The IUPAC name of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide (CID 25336231) is N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide?
The canonical SMILES for N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide is CCOc1cc2c(cc1NC(=O)CNc1ccc(OC(F)(F)F)cc1)O[C@H](C)C2.
What is the InChIKey of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide?
The InChIKey is IGMUFYXMBQBTJQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21F3N2O4/c1-3-27-18-9-13-8-12(2)28-17(13)10-16(18)25-19(26)11-24-14-4-6-15(7-5-14)29-20(21,22)23/h4-7,9-10,12,24H,3,8,11H2,1-2H3,(H,25,26)/t12-/m1/s1.
What are the key properties of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide?
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide has a molecular weight of 410.39 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-[4-(trifluoromethoxy)anilino]acetamide is sourced from PubChem (CID 25336231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).