2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide

C20H20F3NO4 — CID 51310380

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C20H20F3NO4/c1-26-8-9-28-18-5-3-15(20(21,22)23)12-16(18)24-19(25)11-13-2-4-17-14(10-13)6-7-27-17/h2-5,10,12H,6-9,11H2,1H3,(H,24,25)
InChIKeyVCEZBNOVXCQBTQ-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.85
Rot. Bonds7

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 51310380) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID51310380
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C20H20F3NO4/c1-26-8-9-28-18-5-3-15(20(21,22)23)12-16(18)24-19(25)11-13-2-4-17-14(10-13)6-7-27-17/h2-5,10,12H,6-9,11H2,1H3,(H,24,25)
InChIKeyVCEZBNOVXCQBTQ-UHFFFAOYSA-N
XLogP3.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate
CID 60557656
2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 52847984
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55532458
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 9116070
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 55486107
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516
[2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate
CID 32959229
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34281761
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-fluorophenyl)acetamide
CID 51309459
2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride
CID 171667119
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide
CID 2632480
3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide
CID 29456589

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide (CID 51310380) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VCEZBNOVXCQBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4/c1-26-8-9-28-18-5-3-15(20(21,22)23)12-16(18)24-19(25)11-13-2-4-17-14(10-13)6-7-27-17/h2-5,10,12H,6-9,11H2,1H3,(H,24,25).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 395.38 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 51310380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).