2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide

C16H17ClN2O3 — CID 123198555

IUPAC2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(NCCN1CCCC1)C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H17ClN2O3/c17-12-3-4-13-11(9-12)10-14(22-13)15(20)16(21)18-5-8-19-6-1-2-7-19/h3-4,9-10H,1-2,5-8H2,(H,18,21)
InChIKeyYLYXWAAKEMICCY-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.48
Rot. Bonds5

About 2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide

2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 123198555) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID123198555
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(NCCN1CCCC1)C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H17ClN2O3/c17-12-3-4-13-11(9-12)10-14(22-13)15(20)16(21)18-5-8-19-6-1-2-7-19/h3-4,9-10H,1-2,5-8H2,(H,18,21)
InChIKeyYLYXWAAKEMICCY-UHFFFAOYSA-N
XLogP2.48
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 58945427
5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide
CID 9272241
(5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
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5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide
CID 111464277
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
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5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide
CID 9327354
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide
CID 103763914
4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide
CID 21450387
(5-chloro-1-benzofuran-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 27659688
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 123198555) is 2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide is O=C(NCCN1CCCC1)C(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is YLYXWAAKEMICCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c17-12-3-4-13-11(9-12)10-14(22-13)15(20)16(21)18-5-8-19-6-1-2-7-19/h3-4,9-10H,1-2,5-8H2,(H,18,21).
What are the key properties of 2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 320.78 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzofuran-2-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 123198555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).