3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione

C19H19BrN2O2 — CID 43844516

IUPAC3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(C)c(N2C(=O)CC(Nc3ccc(Br)cc3)C2=O)c(C)c1
InChIInChI=1S/C19H19BrN2O2/c1-11-8-12(2)18(13(3)9-11)22-17(23)10-16(19(22)24)21-15-6-4-14(20)5-7-15/h4-9,16,21H,10H2,1-3H3
InChIKeyGNQOVVCSSXMMKC-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.12
Rot. Bonds3

About 3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione

3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 43844516) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
PubChem CID43844516
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(C)c(N2C(=O)CC(Nc3ccc(Br)cc3)C2=O)c(C)c1
InChIInChI=1S/C19H19BrN2O2/c1-11-8-12(2)18(13(3)9-11)22-17(23)10-16(19(22)24)21-15-6-4-14(20)5-7-15/h4-9,16,21H,10H2,1-3H3
InChIKeyGNQOVVCSSXMMKC-UHFFFAOYSA-N
XLogP4.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.12
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-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione (CID 43844516) is 3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione is Cc1cc(C)c(N2C(=O)CC(Nc3ccc(Br)cc3)C2=O)c(C)c1.
What is the InChIKey of 3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is GNQOVVCSSXMMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-11-8-12(2)18(13(3)9-11)22-17(23)10-16(19(22)24)21-15-6-4-14(20)5-7-15/h4-9,16,21H,10H2,1-3H3.
What are the key properties of 3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione?
3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 387.28 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).