1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione

C20H23ClFN3O3 — CID 5296407

IUPAC1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C(C1CCN(C2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1)N1CCCC1
InChIInChI=1S/C20H23ClFN3O3/c21-15-11-14(3-4-16(15)22)25-18(26)12-17(20(25)28)23-9-5-13(6-10-23)19(27)24-7-1-2-8-24/h3-4,11,13,17H,1-2,5-10,12H2
InChIKeyCLKHZCYDMRGROS-UHFFFAOYSA-N
MW407.87 g/mol
LogP2.45
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione

1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 5296407) has the molecular formula C20H23ClFN3O3 and a molecular weight of 407.87 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID5296407
Molecular FormulaC20H23ClFN3O3
Molecular Weight407.87 g/mol
Exact Mass407.14
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C(C1CCN(C2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1)N1CCCC1
InChIInChI=1S/C20H23ClFN3O3/c21-15-11-14(3-4-16(15)22)25-18(26)12-17(20(25)28)23-9-5-13(6-10-23)19(27)24-7-1-2-8-24/h3-4,11,13,17H,1-2,5-10,12H2
InChIKeyCLKHZCYDMRGROS-UHFFFAOYSA-N
XLogP2.45
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.87
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione (CID 5296407) is 1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione is O=C(C1CCN(C2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1)N1CCCC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is CLKHZCYDMRGROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O3/c21-15-11-14(3-4-16(15)22)25-18(26)12-17(20(25)28)23-9-5-13(6-10-23)19(27)24-7-1-2-8-24/h3-4,11,13,17H,1-2,5-10,12H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione?
1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 407.87 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 5296407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).