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

C16H12BrClN2O2 — CID 43844787

IUPAC3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(Br)cc2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C16H12BrClN2O2/c17-10-5-7-11(8-6-10)19-13-9-15(21)20(16(13)22)14-4-2-1-3-12(14)18/h1-8,13,19H,9H2
InChIKeyVHFZJFWCYSEEOO-UHFFFAOYSA-N
MW379.64 g/mol
LogP3.85
Rot. Bonds3

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

3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione (PubChem CID 43844787) has the molecular formula C16H12BrClN2O2 and a molecular weight of 379.64 g/mol. Its IUPAC name is 3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
PubChem CID43844787
Molecular FormulaC16H12BrClN2O2
Molecular Weight379.64 g/mol
Exact Mass377.98
IUPAC Name3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(Br)cc2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C16H12BrClN2O2/c17-10-5-7-11(8-6-10)19-13-9-15(21)20(16(13)22)14-4-2-1-3-12(14)18/h1-8,13,19H,9H2
InChIKeyVHFZJFWCYSEEOO-UHFFFAOYSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 53.85
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

(3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860269
(3S)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 51860357
(3R)-3-(4-chloroanilino)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235319
(3S)-1-(4-bromophenyl)-3-(4-chloroanilino)pyrrolidine-2,5-dione
CID 1116618
3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 19163739
(3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 31274782
(3R)-1-(2,3-dichlorophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188370
1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844780
(3S)-1-(2-bromophenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 98188351
1-(2-bromophenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 43844823
(3S)-3-anilino-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235147
(3R)-1-(2-chlorophenyl)-3-[3-(trifluoromethyl)anilino]pyrrolidine-2,5-dione
CID 2112714

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione (CID 43844787) is 3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione is O=C1CC(Nc2ccc(Br)cc2)C(=O)N1c1ccccc1Cl.
What is the InChIKey of 3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is VHFZJFWCYSEEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O2/c17-10-5-7-11(8-6-10)19-13-9-15(21)20(16(13)22)14-4-2-1-3-12(14)18/h1-8,13,19H,9H2.
What are the key properties of 3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione?
3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 379.64 g/mol, XLogP of 3.85, 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-chlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).