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

C24H20N2O2 — CID 110573928

IUPAC3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H20N2O2/c1-17-13-15-18(16-14-17)21-22(25(2)19-9-5-3-6-10-19)24(28)26(23(21)27)20-11-7-4-8-12-20/h3-16H,1-2H3
InChIKeyPUNZTTJZWHTNFU-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.42
Rot. Bonds4

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

3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione (PubChem CID 110573928) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
PubChem CID110573928
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H20N2O2/c1-17-13-15-18(16-14-17)21-22(25(2)19-9-5-3-6-10-19)24(28)26(23(21)27)20-11-7-4-8-12-20/h3-16H,1-2H3
InChIKeyPUNZTTJZWHTNFU-UHFFFAOYSA-N
XLogP4.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(N-methylanilino)-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561560
1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573960
1-(2-fluorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573548
3-(N-methylanilino)-4-(4-methylphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110574208
1-(4-chlorophenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110545221
1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572451
1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110576010
3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110576170
3-(4-chlorophenyl)-4-(N-methylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110571328
1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572710
N-[4-[3-(4-fluorophenyl)-4-(N-methylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110545385
3-(3,4-dimethylphenyl)-4-(N-methylanilino)-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110548288

Frequently Asked Questions

What is the IUPAC name of 3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione (CID 110573928) is 3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione is Cc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione?
The InChIKey is PUNZTTJZWHTNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-17-13-15-18(16-14-17)21-22(25(2)19-9-5-3-6-10-19)24(28)26(23(21)27)20-11-7-4-8-12-20/h3-16H,1-2H3.
What are the key properties of 3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione?
3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione has a molecular weight of 368.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110573928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).