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

C24H19BrN2O2 — CID 110574434

IUPAC1-(4-bromophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(c3ccc(Br)cc3)C2=O)cc1
InChIInChI=1S/C24H19BrN2O2/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
InChIKeyWAFGXCHQKMYAMI-UHFFFAOYSA-N
MW447.33 g/mol
LogP5.18
Rot. Bonds4

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

1-(4-bromophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110574434) has the molecular formula C24H19BrN2O2 and a molecular weight of 447.33 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110574434
Molecular FormulaC24H19BrN2O2
Molecular Weight447.33 g/mol
Exact Mass446.06
IUPAC Name1-(4-bromophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(c3ccc(Br)cc3)C2=O)cc1
InChIInChI=1S/C24H19BrN2O2/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
InChIKeyWAFGXCHQKMYAMI-UHFFFAOYSA-N
XLogP5.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.33
LogP ≤ 55.18
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

1,3-Bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione
CID 11851013
2-[[4-[2-[4-(4-Bromophenyl)piperazin-1-yl]ethyl]phenyl]methyl]isoindole-1,3-dione
CID 85469753
Benzamide, N-antipyrinyl-m-bromo-N-methyl-
CID 27108
N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide
CID 2449922
N-(4-Bromophenyl)-N-(3-dimethylamino-1,4-dioxo-naphthalen-2-yl)-acetamide
CID 4644183
N-[1-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 24818056
N-(1-((4-Bromoanilino)carbonyl)-2-phenylvinyl)-4-methylbenzamide
CID 2131129
2-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbenzamide
CID 25161792
1-(4-Bromophenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 46036215
(3R,4S)-4-[4-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]-N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide
CID 71455401
N-(4-bromophenyl)-2-(4-phenylphenyl)acetamide
CID 71584524
1-(4-Bromophenyl)-3,4-diphenylpyrrole-2,5-dione
CID 101725328

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-bromophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110574434) is 1-(4-bromophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-bromophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(c3ccc(Br)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is WAFGXCHQKMYAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O2/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-bromophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
1-(4-bromophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 447.33 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110574434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).