2-(1-ethylpyrrolidin-2-yl)-2-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)acetamide

C16H21IN2O2 — CID 57130361

IUPAC2-(1-ethylpyrrolidin-2-yl)-2-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)acetamide
SMILESCCN1CCCC1C(C(N)=O)c1cc(I)cc2c1OCC2
InChIInChI=1S/C16H21IN2O2/c1-2-19-6-3-4-13(19)14(16(18)20)12-9-11(17)8-10-5-7-21-15(10)12/h8-9,13-14H,2-7H2,1H3,(H2,18,20)
InChIKeySFJWBERUXFKHLV-UHFFFAOYSA-N
MW400.26 g/mol
LogP2.28
Rot. Bonds4

About 2-(1-ethylpyrrolidin-2-yl)-2-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)acetamide

2-(1-ethylpyrrolidin-2-yl)-2-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)acetamide (PubChem CID 57130361) has the molecular formula C16H21IN2O2 and a molecular weight of 400.26 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-2-yl)-2-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)acetamide.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-2-yl)-2-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)acetamide
PubChem CID57130361
Molecular FormulaC16H21IN2O2
Molecular Weight400.26 g/mol
Exact Mass400.06
IUPAC Name2-(1-ethylpyrrolidin-2-yl)-2-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)acetamide
SMILESCCN1CCCC1C(C(N)=O)c1cc(I)cc2c1OCC2
InChIInChI=1S/C16H21IN2O2/c1-2-19-6-3-4-13(19)14(16(18)20)12-9-11(17)8-10-5-7-21-15(10)12/h8-9,13-14H,2-7H2,1H3,(H2,18,20)
InChIKeySFJWBERUXFKHLV-UHFFFAOYSA-N
XLogP2.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-2-yl)-2-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)acetamide?
The IUPAC name of 2-(1-ethylpyrrolidin-2-yl)-2-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)acetamide (CID 57130361) is 2-(1-ethylpyrrolidin-2-yl)-2-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)acetamide.
What is the SMILES notation for 2-(1-ethylpyrrolidin-2-yl)-2-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)acetamide?
The canonical SMILES for 2-(1-ethylpyrrolidin-2-yl)-2-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)acetamide is CCN1CCCC1C(C(N)=O)c1cc(I)cc2c1OCC2.
What is the InChIKey of 2-(1-ethylpyrrolidin-2-yl)-2-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)acetamide?
The InChIKey is SFJWBERUXFKHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN2O2/c1-2-19-6-3-4-13(19)14(16(18)20)12-9-11(17)8-10-5-7-21-15(10)12/h8-9,13-14H,2-7H2,1H3,(H2,18,20).
What are the key properties of 2-(1-ethylpyrrolidin-2-yl)-2-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)acetamide?
2-(1-ethylpyrrolidin-2-yl)-2-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)acetamide has a molecular weight of 400.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-2-yl)-2-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)acetamide is sourced from PubChem (CID 57130361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).