2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide

C18H15NO2 — CID 51337859

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide
SMILESC#Cc1cccc(NC(=O)Cc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C18H15NO2/c1-2-13-4-3-5-16(11-13)19-18(20)12-14-6-7-17-15(10-14)8-9-21-17/h1,3-7,10-11H,8-9,12H2,(H,19,20)
InChIKeyRPLYSQMTIRXAHC-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.78
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide (PubChem CID 51337859) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide
PubChem CID51337859
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide
SMILESC#Cc1cccc(NC(=O)Cc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C18H15NO2/c1-2-13-4-3-5-16(11-13)19-18(20)12-14-6-7-17-15(10-14)8-9-21-17/h1,3-7,10-11H,8-9,12H2,(H,19,20)
InChIKeyRPLYSQMTIRXAHC-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethynylaniline
CID 43803944
N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 134012127
N-(3-ethynylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107019222
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 55486107
ethyl 2-[3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]phenoxy]acetate
CID 55615254
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 51311006
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-fluorophenyl)acetamide
CID 51309459
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17493168
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 51313250
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
N-(3-ethynylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 60712717
N-(3-cyanophenyl)sulfonyl-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 56814800

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide (CID 51337859) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide is C#Cc1cccc(NC(=O)Cc2ccc3c(c2)CCO3)c1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide?
The InChIKey is RPLYSQMTIRXAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-2-13-4-3-5-16(11-13)19-18(20)12-14-6-7-17-15(10-14)8-9-21-17/h1,3-7,10-11H,8-9,12H2,(H,19,20).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide is sourced from PubChem (CID 51337859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).