1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione

C20H20FN3O3 — CID 2878726

IUPAC1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1F
InChIInChI=1S/C20H20FN3O3/c21-16-3-1-2-4-18(16)24-19(25)13-17(20(24)26)22-14-5-7-15(8-6-14)23-9-11-27-12-10-23/h1-8,17,22H,9-13H2
InChIKeySGINEEJHULURCX-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.41
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione

1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione (PubChem CID 2878726) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
PubChem CID2878726
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1F
InChIInChI=1S/C20H20FN3O3/c21-16-3-1-2-4-18(16)24-19(25)13-17(20(24)26)22-14-5-7-15(8-6-14)23-9-11-27-12-10-23/h1-8,17,22H,9-13H2
InChIKeySGINEEJHULURCX-UHFFFAOYSA-N
XLogP2.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione (CID 2878726) is 1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione is O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The InChIKey is SGINEEJHULURCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-16-3-1-2-4-18(16)24-19(25)13-17(20(24)26)22-14-5-7-15(8-6-14)23-9-11-27-12-10-23/h1-8,17,22H,9-13H2.
What are the key properties of 1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione has a molecular weight of 369.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2878726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).