1-(2-chloroanilino)-3-cyclohexylpyrrolidine-2,5-dione

C16H19ClN2O2 — CID 24795574

IUPAC1-(2-chloroanilino)-3-cyclohexylpyrrolidine-2,5-dione
SMILESO=C1CC(C2CCCCC2)C(=O)N1Nc1ccccc1Cl
InChIInChI=1S/C16H19ClN2O2/c17-13-8-4-5-9-14(13)18-19-15(20)10-12(16(19)21)11-6-2-1-3-7-11/h4-5,8-9,11-12,18H,1-3,6-7,10H2
InChIKeyOXYVYCFETBUADI-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.62
Rot. Bonds3

About 1-(2-chloroanilino)-3-cyclohexylpyrrolidine-2,5-dione

1-(2-chloroanilino)-3-cyclohexylpyrrolidine-2,5-dione (PubChem CID 24795574) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(2-chloroanilino)-3-cyclohexylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-chloroanilino)-3-cyclohexylpyrrolidine-2,5-dione
PubChem CID24795574
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-(2-chloroanilino)-3-cyclohexylpyrrolidine-2,5-dione
SMILESO=C1CC(C2CCCCC2)C(=O)N1Nc1ccccc1Cl
InChIInChI=1S/C16H19ClN2O2/c17-13-8-4-5-9-14(13)18-19-15(20)10-12(16(19)21)11-6-2-1-3-7-11/h4-5,8-9,11-12,18H,1-3,6-7,10H2
InChIKeyOXYVYCFETBUADI-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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 1-(2-chloroanilino)-3-cyclohexylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-chloroanilino)-3-cyclohexylpyrrolidine-2,5-dione (CID 24795574) is 1-(2-chloroanilino)-3-cyclohexylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-chloroanilino)-3-cyclohexylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-chloroanilino)-3-cyclohexylpyrrolidine-2,5-dione is O=C1CC(C2CCCCC2)C(=O)N1Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chloroanilino)-3-cyclohexylpyrrolidine-2,5-dione?
The InChIKey is OXYVYCFETBUADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-13-8-4-5-9-14(13)18-19-15(20)10-12(16(19)21)11-6-2-1-3-7-11/h4-5,8-9,11-12,18H,1-3,6-7,10H2.
What are the key properties of 1-(2-chloroanilino)-3-cyclohexylpyrrolidine-2,5-dione?
1-(2-chloroanilino)-3-cyclohexylpyrrolidine-2,5-dione has a molecular weight of 306.79 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroanilino)-3-cyclohexylpyrrolidine-2,5-dione is sourced from PubChem (CID 24795574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).