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

C17H14N2O2 — CID 6539512

IUPAC3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
SMILESCN(C1=C(c2ccccc2)C(=O)NC1=O)c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-19(13-10-6-3-7-11-13)15-14(16(20)18-17(15)21)12-8-4-2-5-9-12/h2-11H,1H3,(H,18,20,21)
InChIKeyRYLUURFDWDEDKU-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.19
Rot. Bonds3

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

3-(N-methylanilino)-4-phenylpyrrole-2,5-dione (PubChem CID 6539512) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(N-methylanilino)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
PubChem CID6539512
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
SMILESCN(C1=C(c2ccccc2)C(=O)NC1=O)c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-19(13-10-6-3-7-11-13)15-14(16(20)18-17(15)21)12-8-4-2-5-9-12/h2-11H,1H3,(H,18,20,21)
InChIKeyRYLUURFDWDEDKU-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
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-(N-methylanilino)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(N-methylanilino)-4-phenylpyrrole-2,5-dione (CID 6539512) is 3-(N-methylanilino)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(N-methylanilino)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(N-methylanilino)-4-phenylpyrrole-2,5-dione is CN(C1=C(c2ccccc2)C(=O)NC1=O)c1ccccc1.
What is the InChIKey of 3-(N-methylanilino)-4-phenylpyrrole-2,5-dione?
The InChIKey is RYLUURFDWDEDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-19(13-10-6-3-7-11-13)15-14(16(20)18-17(15)21)12-8-4-2-5-9-12/h2-11H,1H3,(H,18,20,21).
What are the key properties of 3-(N-methylanilino)-4-phenylpyrrole-2,5-dione?
3-(N-methylanilino)-4-phenylpyrrole-2,5-dione has a molecular weight of 278.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 6539512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).