1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione

C19H18N2O3 — CID 168559346

IUPAC1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione
SMILESCc1ccc(-c2ccc(NC3=CC(=O)N(CCO)C3=O)cc2)cc1
InChIInChI=1S/C19H18N2O3/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)20-17-12-18(23)21(10-11-22)19(17)24/h2-9,12,20,22H,10-11H2,1H3
InChIKeyBPZDTWLPYCWGAT-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.32
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione (PubChem CID 168559346) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione
PubChem CID168559346
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione
SMILESCc1ccc(-c2ccc(NC3=CC(=O)N(CCO)C3=O)cc2)cc1
InChIInChI=1S/C19H18N2O3/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)20-17-12-18(23)21(10-11-22)19(17)24/h2-9,12,20,22H,10-11H2,1H3
InChIKeyBPZDTWLPYCWGAT-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
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 1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione (CID 168559346) is 1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione is Cc1ccc(-c2ccc(NC3=CC(=O)N(CCO)C3=O)cc2)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione?
The InChIKey is BPZDTWLPYCWGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)20-17-12-18(23)21(10-11-22)19(17)24/h2-9,12,20,22H,10-11H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione has a molecular weight of 322.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 168559346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).