3-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione

C16H19ClN2O2 — CID 43637520

IUPAC3-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione
SMILESCc1ccc(NC2CC(=O)N(C3CCCC3)C2=O)c(Cl)c1
InChIInChI=1S/C16H19ClN2O2/c1-10-6-7-13(12(17)8-10)18-14-9-15(20)19(16(14)21)11-4-2-3-5-11/h6-8,11,14,18H,2-5,9H2,1H3
InChIKeyOEOFUPFTJYSLQI-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.13
Rot. Bonds3

About 3-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione

3-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione (PubChem CID 43637520) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 3-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione
PubChem CID43637520
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name3-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione
SMILESCc1ccc(NC2CC(=O)N(C3CCCC3)C2=O)c(Cl)c1
InChIInChI=1S/C16H19ClN2O2/c1-10-6-7-13(12(17)8-10)18-14-9-15(20)19(16(14)21)11-4-2-3-5-11/h6-8,11,14,18H,2-5,9H2,1H3
InChIKeyOEOFUPFTJYSLQI-UHFFFAOYSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.13
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-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione (CID 43637520) is 3-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione is Cc1ccc(NC2CC(=O)N(C3CCCC3)C2=O)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione?
The InChIKey is OEOFUPFTJYSLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-10-6-7-13(12(17)8-10)18-14-9-15(20)19(16(14)21)11-4-2-3-5-11/h6-8,11,14,18H,2-5,9H2,1H3.
What are the key properties of 3-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione?
3-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione has a molecular weight of 306.79 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylanilino)-1-cyclopentylpyrrolidine-2,5-dione is sourced from PubChem (CID 43637520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).