3-(4-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione

C17H13ClN2O2 — CID 6539515

IUPAC3-(4-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCN(C1=C(c2ccc(Cl)cc2)C(=O)NC1=O)c1ccccc1
InChIInChI=1S/C17H13ClN2O2/c1-20(13-5-3-2-4-6-13)15-14(16(21)19-17(15)22)11-7-9-12(18)10-8-11/h2-10H,1H3,(H,19,21,22)
InChIKeyOXDDQEIQYYBUAL-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.84
Rot. Bonds3

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

3-(4-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione (PubChem CID 6539515) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
PubChem CID6539515
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name3-(4-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCN(C1=C(c2ccc(Cl)cc2)C(=O)NC1=O)c1ccccc1
InChIInChI=1S/C17H13ClN2O2/c1-20(13-5-3-2-4-6-13)15-14(16(21)19-17(15)22)11-7-9-12(18)10-8-11/h2-10H,1H3,(H,19,21,22)
InChIKeyOXDDQEIQYYBUAL-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.84
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

3-phenyl-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539451
3-[(3-chlorophenyl)amino]-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539457
4-Chlorobenzanilide
CID 346669
3-(2-chlorophenyl)-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539452
3-(4-chlorophenyl)-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539455
3-(2-chlorophenyl)-4-[(3-chlorophenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539458
3-[(3-chlorophenyl)amino]-4-(2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539460
3-(4-chlorophenyl)-4-[(3-chlorophenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539463
3-(2-chlorophenyl)-4-{[4-(methylsulfanyl)phenyl]amino}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539504
3-(3-chlorophenyl)-4-{[4-(methylsulfanyl)phenyl]amino}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539506
3-(4-chlorophenyl)-4-((4-(methylsulfanyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539509
3-(2-chlorophenyl)-4-(2,3-dihydro-1H-indol-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539516

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione (CID 6539515) is 3-(4-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione is CN(C1=C(c2ccc(Cl)cc2)C(=O)NC1=O)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The InChIKey is OXDDQEIQYYBUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-20(13-5-3-2-4-6-13)15-14(16(21)19-17(15)22)11-7-9-12(18)10-8-11/h2-10H,1H3,(H,19,21,22).
What are the key properties of 3-(4-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione has a molecular weight of 312.76 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 6539515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).