3-chloro-4-morpholin-4-yl-1-(2-phenylethyl)pyrrole-2,5-dione

C16H17ClN2O3 — CID 724964

IUPAC3-chloro-4-morpholin-4-yl-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(N2CCOCC2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C16H17ClN2O3/c17-13-14(18-8-10-22-11-9-18)16(21)19(15(13)20)7-6-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyCJFHKRUGTDUPBY-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.38
Rot. Bonds4

About 3-chloro-4-morpholin-4-yl-1-(2-phenylethyl)pyrrole-2,5-dione

3-chloro-4-morpholin-4-yl-1-(2-phenylethyl)pyrrole-2,5-dione (PubChem CID 724964) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 3-chloro-4-morpholin-4-yl-1-(2-phenylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-morpholin-4-yl-1-(2-phenylethyl)pyrrole-2,5-dione
PubChem CID724964
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name3-chloro-4-morpholin-4-yl-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(N2CCOCC2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C16H17ClN2O3/c17-13-14(18-8-10-22-11-9-18)16(21)19(15(13)20)7-6-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyCJFHKRUGTDUPBY-UHFFFAOYSA-N
XLogP1.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-4-morpholin-4-yl-1-(2-phenylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-morpholin-4-yl-1-(2-phenylethyl)pyrrole-2,5-dione (CID 724964) is 3-chloro-4-morpholin-4-yl-1-(2-phenylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-morpholin-4-yl-1-(2-phenylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-morpholin-4-yl-1-(2-phenylethyl)pyrrole-2,5-dione is O=C1C(Cl)=C(N2CCOCC2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 3-chloro-4-morpholin-4-yl-1-(2-phenylethyl)pyrrole-2,5-dione?
The InChIKey is CJFHKRUGTDUPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c17-13-14(18-8-10-22-11-9-18)16(21)19(15(13)20)7-6-12-4-2-1-3-5-12/h1-5H,6-11H2.
What are the key properties of 3-chloro-4-morpholin-4-yl-1-(2-phenylethyl)pyrrole-2,5-dione?
3-chloro-4-morpholin-4-yl-1-(2-phenylethyl)pyrrole-2,5-dione has a molecular weight of 320.78 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-morpholin-4-yl-1-(2-phenylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 724964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).