3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione

C23H19ClN2O3 — CID 110569377

IUPAC3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccco2)C1=O)c1ccccc1
InChIInChI=1S/C23H19ClN2O3/c1-2-25(18-7-4-3-5-8-18)21-20(16-10-12-17(24)13-11-16)22(27)26(23(21)28)15-19-9-6-14-29-19/h3-14H,2,15H2,1H3
InChIKeyJGPZBTXMNZGCAA-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.74
Rot. Bonds6

About 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione

3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione (PubChem CID 110569377) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
PubChem CID110569377
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccco2)C1=O)c1ccccc1
InChIInChI=1S/C23H19ClN2O3/c1-2-25(18-7-4-3-5-8-18)21-20(16-10-12-17(24)13-11-16)22(27)26(23(21)28)15-19-9-6-14-29-19/h3-14H,2,15H2,1H3
InChIKeyJGPZBTXMNZGCAA-UHFFFAOYSA-N
XLogP4.74
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.74
H-Bond Donors ≤ 50
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-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione (CID 110569377) is 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione is CCN(C1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccco2)C1=O)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione?
The InChIKey is JGPZBTXMNZGCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-2-25(18-7-4-3-5-8-18)21-20(16-10-12-17(24)13-11-16)22(27)26(23(21)28)15-19-9-6-14-29-19/h3-14H,2,15H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione has a molecular weight of 406.87 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110569377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).