N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide

C19H17NO3 — CID 17468740

IUPACN-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H17NO3/c1-13(21)20-11-10-14-6-8-15(9-7-14)19(22)18-12-16-4-2-3-5-17(16)23-18/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyNHXNNFFOXYECEL-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.34
Rot. Bonds5

About N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide

N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide (PubChem CID 17468740) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide
PubChem CID17468740
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC NameN-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H17NO3/c1-13(21)20-11-10-14-6-8-15(9-7-14)19(22)18-12-16-4-2-3-5-17(16)23-18/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyNHXNNFFOXYECEL-UHFFFAOYSA-N
XLogP3.34
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529204
N-[2-(3,4-dihydroxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 78796682
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
CID 29075985
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 115807026
1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone
CID 168514058
N-[2-(furan-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90558282
2-[[4-(1-benzofuran-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339945
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide
CID 2603932
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 154576781

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide (CID 17468740) is N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide?
The InChIKey is NHXNNFFOXYECEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-13(21)20-11-10-14-6-8-15(9-7-14)19(22)18-12-16-4-2-3-5-17(16)23-18/h2-9,12H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide?
N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 17468740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).