N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethoxyacetamide

C12H14ClNO3 — CID 86794378

IUPACN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C12H14ClNO3/c1-2-16-7-11(15)14-10-6-9(13)5-8-3-4-17-12(8)10/h5-6H,2-4,7H2,1H3,(H,14,15)
InChIKeyYQXAODKIFOGZPD-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.25
Rot. Bonds4

About N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethoxyacetamide

N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethoxyacetamide (PubChem CID 86794378) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethoxyacetamide
PubChem CID86794378
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC NameN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C12H14ClNO3/c1-2-16-7-11(15)14-10-6-9(13)5-8-3-4-17-12(8)10/h5-6H,2-4,7H2,1H3,(H,14,15)
InChIKeyYQXAODKIFOGZPD-UHFFFAOYSA-N
XLogP2.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethoxyacetamide?
The IUPAC name of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethoxyacetamide (CID 86794378) is N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethoxyacetamide.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethoxyacetamide?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethoxyacetamide is CCOCC(=O)Nc1cc(Cl)cc2c1OCC2.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethoxyacetamide?
The InChIKey is YQXAODKIFOGZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-2-16-7-11(15)14-10-6-9(13)5-8-3-4-17-12(8)10/h5-6H,2-4,7H2,1H3,(H,14,15).
What are the key properties of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethoxyacetamide?
N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethoxyacetamide has a molecular weight of 255.70 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethoxyacetamide is sourced from PubChem (CID 86794378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).