3-chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

C15H14Cl2N2O3 — CID 729270

IUPAC3-chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1Cl
InChIInChI=1S/C15H14Cl2N2O3/c1-9-2-3-10(8-11(9)16)19-14(20)12(17)13(15(19)21)18-4-6-22-7-5-18/h2-3,8H,4-7H2,1H3
InChIKeyHUMJXLGUUGNQCK-UHFFFAOYSA-N
MW341.19 g/mol
LogP2.30
Rot. Bonds2

About 3-chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

3-chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 729270) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is 3-chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID729270
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC Name3-chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCc1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1Cl
InChIInChI=1S/C15H14Cl2N2O3/c1-9-2-3-10(8-11(9)16)19-14(20)12(17)13(15(19)21)18-4-6-22-7-5-18/h2-3,8H,4-7H2,1H3
InChIKeyHUMJXLGUUGNQCK-UHFFFAOYSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 52.30
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-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (CID 729270) is 3-chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is Cc1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1Cl.
What is the InChIKey of 3-chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is HUMJXLGUUGNQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c1-9-2-3-10(8-11(9)16)19-14(20)12(17)13(15(19)21)18-4-6-22-7-5-18/h2-3,8H,4-7H2,1H3.
What are the key properties of 3-chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
3-chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 341.19 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chloro-4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 729270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).