3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione

C16H15Cl3N2O2 — CID 2791459

IUPAC3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCC1CCCN(C2=C(Cl)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1
InChIInChI=1S/C16H15Cl3N2O2/c1-9-3-2-6-20(8-9)14-13(19)15(22)21(16(14)23)12-7-10(17)4-5-11(12)18/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyNMOVHQVSZXYLFD-UHFFFAOYSA-N
MW373.67 g/mol
LogP4.05
Rot. Bonds2

About 3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione

3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione (PubChem CID 2791459) has the molecular formula C16H15Cl3N2O2 and a molecular weight of 373.67 g/mol. Its IUPAC name is 3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
PubChem CID2791459
Molecular FormulaC16H15Cl3N2O2
Molecular Weight373.67 g/mol
Exact Mass372.02
IUPAC Name3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCC1CCCN(C2=C(Cl)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1
InChIInChI=1S/C16H15Cl3N2O2/c1-9-3-2-6-20(8-9)14-13(19)15(22)21(16(14)23)12-7-10(17)4-5-11(12)18/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyNMOVHQVSZXYLFD-UHFFFAOYSA-N
XLogP4.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.67
LogP ≤ 54.05
H-Bond Donors ≤ 50
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-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione (CID 2791459) is 3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione is CC1CCCN(C2=C(Cl)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1.
What is the InChIKey of 3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
The InChIKey is NMOVHQVSZXYLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O2/c1-9-3-2-6-20(8-9)14-13(19)15(22)21(16(14)23)12-7-10(17)4-5-11(12)18/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione has a molecular weight of 373.67 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 2791459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).