3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione

C20H16N2O3 — CID 70452206

IUPAC3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione
SMILESCN(C)c1ccc2cc(C3=C(c4ccccc4)C(=O)NC3=O)oc2c1
InChIInChI=1S/C20H16N2O3/c1-22(2)14-9-8-13-10-16(25-15(13)11-14)18-17(19(23)21-20(18)24)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,23,24)
InChIKeyLGHXJVYMYIAUQV-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.07
Rot. Bonds3

About 3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione

3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione (PubChem CID 70452206) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione
PubChem CID70452206
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione
SMILESCN(C)c1ccc2cc(C3=C(c4ccccc4)C(=O)NC3=O)oc2c1
InChIInChI=1S/C20H16N2O3/c1-22(2)14-9-8-13-10-16(25-15(13)11-14)18-17(19(23)21-20(18)24)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,23,24)
InChIKeyLGHXJVYMYIAUQV-UHFFFAOYSA-N
XLogP3.07
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione (CID 70452206) is 3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione is CN(C)c1ccc2cc(C3=C(c4ccccc4)C(=O)NC3=O)oc2c1.
What is the InChIKey of 3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione?
The InChIKey is LGHXJVYMYIAUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-22(2)14-9-8-13-10-16(25-15(13)11-14)18-17(19(23)21-20(18)24)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,23,24).
What are the key properties of 3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione?
3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione has a molecular weight of 332.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 70452206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).