1-(4-methylanilino)-3-phenylpyrrole-2,5-dione

C17H14N2O2 — CID 3775626

IUPAC1-(4-methylanilino)-3-phenylpyrrole-2,5-dione
SMILESCc1ccc(NN2C(=O)C=C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H14N2O2/c1-12-7-9-14(10-8-12)18-19-16(20)11-15(17(19)21)13-5-3-2-4-6-13/h2-11,18H,1H3
InChIKeyWAJHSSMCJJXXER-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.77
Rot. Bonds3

About 1-(4-methylanilino)-3-phenylpyrrole-2,5-dione

1-(4-methylanilino)-3-phenylpyrrole-2,5-dione (PubChem CID 3775626) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(4-methylanilino)-3-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-methylanilino)-3-phenylpyrrole-2,5-dione
PubChem CID3775626
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-(4-methylanilino)-3-phenylpyrrole-2,5-dione
SMILESCc1ccc(NN2C(=O)C=C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H14N2O2/c1-12-7-9-14(10-8-12)18-19-16(20)11-15(17(19)21)13-5-3-2-4-6-13/h2-11,18H,1H3
InChIKeyWAJHSSMCJJXXER-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.77
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 1-(4-methylanilino)-3-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(4-methylanilino)-3-phenylpyrrole-2,5-dione (CID 3775626) is 1-(4-methylanilino)-3-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-methylanilino)-3-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-methylanilino)-3-phenylpyrrole-2,5-dione is Cc1ccc(NN2C(=O)C=C(c3ccccc3)C2=O)cc1.
What is the InChIKey of 1-(4-methylanilino)-3-phenylpyrrole-2,5-dione?
The InChIKey is WAJHSSMCJJXXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-7-9-14(10-8-12)18-19-16(20)11-15(17(19)21)13-5-3-2-4-6-13/h2-11,18H,1H3.
What are the key properties of 1-(4-methylanilino)-3-phenylpyrrole-2,5-dione?
1-(4-methylanilino)-3-phenylpyrrole-2,5-dione has a molecular weight of 278.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylanilino)-3-phenylpyrrole-2,5-dione is sourced from PubChem (CID 3775626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).