3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione

C15H18BrClN2O2 — CID 103478771

IUPAC3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(Nc2cccc(Cl)c2Br)C1=O
InChIInChI=1S/C15H18BrClN2O2/c1-3-9(4-2)19-13(20)8-12(15(19)21)18-11-7-5-6-10(17)14(11)16/h5-7,9,12,18H,3-4,8H2,1-2H3
InChIKeyCMZFYVXORARRLG-UHFFFAOYSA-N
MW373.68 g/mol
LogP3.83
Rot. Bonds5

About 3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione

3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione (PubChem CID 103478771) has the molecular formula C15H18BrClN2O2 and a molecular weight of 373.68 g/mol. Its IUPAC name is 3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione
PubChem CID103478771
Molecular FormulaC15H18BrClN2O2
Molecular Weight373.68 g/mol
Exact Mass372.02
IUPAC Name3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(Nc2cccc(Cl)c2Br)C1=O
InChIInChI=1S/C15H18BrClN2O2/c1-3-9(4-2)19-13(20)8-12(15(19)21)18-11-7-5-6-10(17)14(11)16/h5-7,9,12,18H,3-4,8H2,1-2H3
InChIKeyCMZFYVXORARRLG-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 53.83
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

3-(3-bromo-2-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107633469
3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637995
3-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]benzonitrile
CID 43637969
1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione
CID 107528066
1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 43638142
3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637941
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-6-methylbenzonitrile
CID 107804189
(3S)-3-(2,3-dichloroanilino)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 51860053
1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 43844879
3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107598669
(3R)-3-(2,3-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 98188111
(3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98188367

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione (CID 103478771) is 3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione is CCC(CC)N1C(=O)CC(Nc2cccc(Cl)c2Br)C1=O.
What is the InChIKey of 3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione?
The InChIKey is CMZFYVXORARRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O2/c1-3-9(4-2)19-13(20)8-12(15(19)21)18-11-7-5-6-10(17)14(11)16/h5-7,9,12,18H,3-4,8H2,1-2H3.
What are the key properties of 3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione?
3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione has a molecular weight of 373.68 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-chloroanilino)-1-pentan-3-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 103478771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).