N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide

C18H16N2O2 — CID 134012127

IUPACN-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
SMILESN#CCc1ccc(NC(=O)Cc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H16N2O2/c19-9-7-13-1-4-16(5-2-13)20-18(21)12-14-3-6-17-15(11-14)8-10-22-17/h1-6,11H,7-8,10,12H2,(H,20,21)
InChIKeySZNFNTRFYUYCNO-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.87
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide

N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide (PubChem CID 134012127) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
PubChem CID134012127
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
SMILESN#CCc1ccc(NC(=O)Cc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H16N2O2/c19-9-7-13-1-4-16(5-2-13)20-18(21)12-14-3-6-17-15(11-14)8-10-22-17/h1-6,11H,7-8,10,12H2,(H,20,21)
InChIKeySZNFNTRFYUYCNO-UHFFFAOYSA-N
XLogP2.87
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 10986528
(E)-N-[4-(cyanomethyl)phenyl]-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 35830940
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 51311006
3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 115173560
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-ethynylphenyl)acetamide
CID 51337859
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
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-fluorophenyl)acetamide
CID 51309459
N-(4-acetylphenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 53352123
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26375554

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide (CID 134012127) is N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide is N#CCc1ccc(NC(=O)Cc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
The InChIKey is SZNFNTRFYUYCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-9-7-13-1-4-16(5-2-13)20-18(21)12-14-3-6-17-15(11-14)8-10-22-17/h1-6,11H,7-8,10,12H2,(H,20,21).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 134012127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).