3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride

C20H24ClNO2 — CID 70683055

IUPAC3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride
SMILESCCN(CC)CCC1(c2ccccc2)C(=O)Oc2ccccc21.Cl
InChIInChI=1S/C20H23NO2.ClH/c1-3-21(4-2)15-14-20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)23-19(20)22;/h5-13H,3-4,14-15H2,1-2H3;1H
InChIKeyJLTVLLBWSZPXFN-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.05
Rot. Bonds6

About 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride

3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride (PubChem CID 70683055) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride
PubChem CID70683055
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride
SMILESCCN(CC)CCC1(c2ccccc2)C(=O)Oc2ccccc21.Cl
InChIInChI=1S/C20H23NO2.ClH/c1-3-21(4-2)15-14-20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)23-19(20)22;/h5-13H,3-4,14-15H2,1-2H3;1H
InChIKeyJLTVLLBWSZPXFN-UHFFFAOYSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride?
The IUPAC name of 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride (CID 70683055) is 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride is CCN(CC)CCC1(c2ccccc2)C(=O)Oc2ccccc21.Cl.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride?
The InChIKey is JLTVLLBWSZPXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.ClH/c1-3-21(4-2)15-14-20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)23-19(20)22;/h5-13H,3-4,14-15H2,1-2H3;1H.
What are the key properties of 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride?
3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride is sourced from PubChem (CID 70683055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).