3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione

C19H19FN2O2 — CID 3148429

IUPAC3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(NCCc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-2-8-16(9-3-13)22-18(23)12-17(19(22)24)21-11-10-14-4-6-15(20)7-5-14/h2-9,17,21H,10-12H2,1H3
InChIKeyTXICQISKVQKXHM-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.60
Rot. Bonds5

About 3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione

3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 3148429) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID3148429
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(NCCc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-2-8-16(9-3-13)22-18(23)12-17(19(22)24)21-11-10-14-4-6-15(20)7-5-14/h2-9,17,21H,10-12H2,1H3
InChIKeyTXICQISKVQKXHM-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
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-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 3148429) is 3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(NCCc3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is TXICQISKVQKXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13-2-8-16(9-3-13)22-18(23)12-17(19(22)24)21-11-10-14-4-6-15(20)7-5-14/h2-9,17,21H,10-12H2,1H3.
What are the key properties of 3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 326.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3148429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).