3-anilino-1-ethyl-4-phenylpyrrole-2,5-dione

C18H16N2O2 — CID 24768121

IUPAC3-anilino-1-ethyl-4-phenylpyrrole-2,5-dione
SMILESCCN1C(=O)C(Nc2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C18H16N2O2/c1-2-20-17(21)15(13-9-5-3-6-10-13)16(18(20)22)19-14-11-7-4-8-12-14/h3-12,19H,2H2,1H3
InChIKeyUWSUYWGSXYIDQX-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.90
Rot. Bonds4

About 3-anilino-1-ethyl-4-phenylpyrrole-2,5-dione

3-anilino-1-ethyl-4-phenylpyrrole-2,5-dione (PubChem CID 24768121) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-anilino-1-ethyl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-1-ethyl-4-phenylpyrrole-2,5-dione
PubChem CID24768121
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-anilino-1-ethyl-4-phenylpyrrole-2,5-dione
SMILESCCN1C(=O)C(Nc2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C18H16N2O2/c1-2-20-17(21)15(13-9-5-3-6-10-13)16(18(20)22)19-14-11-7-4-8-12-14/h3-12,19H,2H2,1H3
InChIKeyUWSUYWGSXYIDQX-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-anilino-1-ethyl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-anilino-1-ethyl-4-phenylpyrrole-2,5-dione (CID 24768121) is 3-anilino-1-ethyl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-1-ethyl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-anilino-1-ethyl-4-phenylpyrrole-2,5-dione is CCN1C(=O)C(Nc2ccccc2)=C(c2ccccc2)C1=O.
What is the InChIKey of 3-anilino-1-ethyl-4-phenylpyrrole-2,5-dione?
The InChIKey is UWSUYWGSXYIDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-20-17(21)15(13-9-5-3-6-10-13)16(18(20)22)19-14-11-7-4-8-12-14/h3-12,19H,2H2,1H3.
What are the key properties of 3-anilino-1-ethyl-4-phenylpyrrole-2,5-dione?
3-anilino-1-ethyl-4-phenylpyrrole-2,5-dione has a molecular weight of 292.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-ethyl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 24768121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).