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

C24H19ClN2O2 — CID 110573960

IUPAC1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H19ClN2O2/c1-16-8-10-17(11-9-16)21-22(26(2)19-6-4-3-5-7-19)24(29)27(23(21)28)20-14-12-18(25)13-15-20/h3-15H,1-2H3
InChIKeyTYSKUFZRVQTPJQ-UHFFFAOYSA-N
MW402.88 g/mol
LogP5.07
Rot. Bonds4

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

1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110573960) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110573960
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC Name1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H19ClN2O2/c1-16-8-10-17(11-9-16)21-22(26(2)19-6-4-3-5-7-19)24(29)27(23(21)28)20-14-12-18(25)13-15-20/h3-15H,1-2H3
InChIKeyTYSKUFZRVQTPJQ-UHFFFAOYSA-N
XLogP5.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.88
LogP ≤ 55.07
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
3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573928
1-(4-chlorophenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110545221
1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110576010
3-(4-chlorophenyl)-4-(N-methylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110571328
3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione
CID 110569696
1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574357
1-(2-fluorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573548
3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110576170
3-(N-methylanilino)-4-(4-methylphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110574208
3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione
CID 110561137
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110560426

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110573960) is 1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is TYSKUFZRVQTPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c1-16-8-10-17(11-9-16)21-22(26(2)19-6-4-3-5-7-19)24(29)27(23(21)28)20-14-12-18(25)13-15-20/h3-15H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 402.88 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110573960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).