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

C20H16N2O3 — CID 23080797

IUPAC3-[4-[6-(dimethylamino)-1-benzofuran-2-yl]phenyl]pyrrole-2,5-dione
SMILESCN(C)c1ccc2cc(-c3ccc(C4=CC(=O)NC4=O)cc3)oc2c1
InChIInChI=1S/C20H16N2O3/c1-22(2)15-8-7-14-9-17(25-18(14)10-15)13-5-3-12(4-6-13)16-11-19(23)21-20(16)24/h3-11H,1-2H3,(H,21,23,24)
InChIKeySRWXXICYTGEAES-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.21
Rot. Bonds3

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

3-[4-[6-(dimethylamino)-1-benzofuran-2-yl]phenyl]pyrrole-2,5-dione (PubChem CID 23080797) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[4-[6-(dimethylamino)-1-benzofuran-2-yl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-[6-(dimethylamino)-1-benzofuran-2-yl]phenyl]pyrrole-2,5-dione
PubChem CID23080797
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name3-[4-[6-(dimethylamino)-1-benzofuran-2-yl]phenyl]pyrrole-2,5-dione
SMILESCN(C)c1ccc2cc(-c3ccc(C4=CC(=O)NC4=O)cc3)oc2c1
InChIInChI=1S/C20H16N2O3/c1-22(2)15-8-7-14-9-17(25-18(14)10-15)13-5-3-12(4-6-13)16-11-19(23)21-20(16)24/h3-11H,1-2H3,(H,21,23,24)
InChIKeySRWXXICYTGEAES-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(2,5-dioxopyrrol-3-yl)-N-methylanilino]phenyl]pyrrole-2,5-dione
CID 163842039
3-[6-(dimethylamino)-1-benzofuran-2-yl]-4-phenylpyrrole-2,5-dione
CID 70452206
7-(dimethylamino)-3-phenylchromen-2-one
CID 10611726
7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride
CID 14729871
4-(5-iodo-1-benzofuran-2-yl)-N,N-dimethylaniline
CID 78075781
7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one
CID 58667740
7-(dimethylamino)-3-(1,3-dimethyl-2H-benzimidazol-2-yl)chromen-2-one
CID 153326132
N,N-diethyl-4-(6-methyl-1-benzofuran-2-yl)aniline
CID 146488900
7-(dimethylamino)-3-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]chromen-2-one
CID 87648151
dimethyl-[6-[methyl(propyl)amino]xanthen-3-ylidene]azanium
CID 157263184
4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde
CID 129115838
5-amino-2-[4-(dimethylamino)phenyl]chromen-4-one
CID 10564703

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(dimethylamino)-1-benzofuran-2-yl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-[4-[6-(dimethylamino)-1-benzofuran-2-yl]phenyl]pyrrole-2,5-dione (CID 23080797) is 3-[4-[6-(dimethylamino)-1-benzofuran-2-yl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[4-[6-(dimethylamino)-1-benzofuran-2-yl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-[4-[6-(dimethylamino)-1-benzofuran-2-yl]phenyl]pyrrole-2,5-dione is CN(C)c1ccc2cc(-c3ccc(C4=CC(=O)NC4=O)cc3)oc2c1.
What is the InChIKey of 3-[4-[6-(dimethylamino)-1-benzofuran-2-yl]phenyl]pyrrole-2,5-dione?
The InChIKey is SRWXXICYTGEAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-22(2)15-8-7-14-9-17(25-18(14)10-15)13-5-3-12(4-6-13)16-11-19(23)21-20(16)24/h3-11H,1-2H3,(H,21,23,24).
What are the key properties of 3-[4-[6-(dimethylamino)-1-benzofuran-2-yl]phenyl]pyrrole-2,5-dione?
3-[4-[6-(dimethylamino)-1-benzofuran-2-yl]phenyl]pyrrole-2,5-dione has a molecular weight of 332.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(dimethylamino)-1-benzofuran-2-yl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 23080797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).