1-(4-benzylanilino)pyrrole-2,5-dione

C17H14N2O2 — CID 174578368

IUPAC1-(4-benzylanilino)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H14N2O2/c20-16-10-11-17(21)19(16)18-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-11,18H,12H2
InChIKeyIBYXFIXOBYXCHF-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.53
Rot. Bonds4

About 1-(4-benzylanilino)pyrrole-2,5-dione

1-(4-benzylanilino)pyrrole-2,5-dione (PubChem CID 174578368) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(4-benzylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-benzylanilino)pyrrole-2,5-dione
PubChem CID174578368
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-(4-benzylanilino)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H14N2O2/c20-16-10-11-17(21)19(16)18-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-11,18H,12H2
InChIKeyIBYXFIXOBYXCHF-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Diphenyl-1H-pyrazol-5-OL
CID 245736
(2E)-N-[4-(2-Hydrazinylethyl)phenyl]-3-phenylprop-2-enamide sulfate salt (13)
CID 77014320
1-o-Tolylamino-pyrrole-2,5-dione
CID 843308
1-anilino-3-phenyl-1H-pyrrole-2,5-dione
CID 1484338
3-phenyl-1-(4-toluidino)-1H-pyrrole-2,5-dione
CID 3775626
4-Benzylidene-1-phenyl-pyrazolidine-3,5-dione
CID 834001
1-[(4-methylphenyl)amino]-1H-pyrrole-2,5-dione
CID 781245
5-(4-aminophenyl)-2,3-dihydro-1H-pyrazol-3-one
CID 11600758
4-Benzyliden-1-phenyl-3,5-dioxopyrazolidine
CID 316119
1-(Phenylamino)-1H-pyrrole-2,5-dione
CID 243252
3-Methyl-1-(4-methylphenyl)-1H-pyrazol-5-ol
CID 2736898
3-Phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
CID 2826181

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(4-benzylanilino)pyrrole-2,5-dione (CID 174578368) is 1-(4-benzylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-benzylanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-benzylanilino)pyrrole-2,5-dione is O=C1C=CC(=O)N1Nc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-benzylanilino)pyrrole-2,5-dione?
The InChIKey is IBYXFIXOBYXCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-16-10-11-17(21)19(16)18-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-11,18H,12H2.
What are the key properties of 1-(4-benzylanilino)pyrrole-2,5-dione?
1-(4-benzylanilino)pyrrole-2,5-dione has a molecular weight of 278.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 174578368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).