3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione

C14H15BrClNO2 — CID 66923463

IUPAC3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
SMILESCCc1cc(Cl)cc(Br)c1C1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H15BrClNO2/c1-4-7-5-8(16)6-9(15)10(7)11-12(18)14(2,3)17-13(11)19/h5-6,11H,4H2,1-3H3,(H,17,19)
InChIKeyQIWTYMZHUQKMHP-UHFFFAOYSA-N
MW344.64 g/mol
LogP3.23
Rot. Bonds2

About 3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione

3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione (PubChem CID 66923463) has the molecular formula C14H15BrClNO2 and a molecular weight of 344.64 g/mol. Its IUPAC name is 3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
PubChem CID66923463
Molecular FormulaC14H15BrClNO2
Molecular Weight344.64 g/mol
Exact Mass343.00
IUPAC Name3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
SMILESCCc1cc(Cl)cc(Br)c1C1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H15BrClNO2/c1-4-7-5-8(16)6-9(15)10(7)11-12(18)14(2,3)17-13(11)19/h5-6,11H,4H2,1-3H3,(H,17,19)
InChIKeyQIWTYMZHUQKMHP-UHFFFAOYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione?
The IUPAC name of 3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione (CID 66923463) is 3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione.
What is the SMILES notation for 3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione?
The canonical SMILES for 3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione is CCc1cc(Cl)cc(Br)c1C1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione?
The InChIKey is QIWTYMZHUQKMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2/c1-4-7-5-8(16)6-9(15)10(7)11-12(18)14(2,3)17-13(11)19/h5-6,11H,4H2,1-3H3,(H,17,19).
What are the key properties of 3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione?
3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione has a molecular weight of 344.64 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-chloro-6-ethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione is sourced from PubChem (CID 66923463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).