1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione

C20H21FN2O2 — CID 138958736

IUPAC1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
SMILESCCCCc1ccc(N2C(=O)CC(Nc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C20H21FN2O2/c1-2-3-4-14-5-11-17(12-6-14)23-19(24)13-18(20(23)25)22-16-9-7-15(21)8-10-16/h5-12,18,22H,2-4,13H2,1H3
InChIKeyLEHVDTXPJUPQAS-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.91
Rot. Bonds6

About 1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione

1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione (PubChem CID 138958736) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
PubChem CID138958736
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
SMILESCCCCc1ccc(N2C(=O)CC(Nc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C20H21FN2O2/c1-2-3-4-14-5-11-17(12-6-14)23-19(24)13-18(20(23)25)22-16-9-7-15(21)8-10-16/h5-12,18,22H,2-4,13H2,1H3
InChIKeyLEHVDTXPJUPQAS-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-butylphenyl)-3-(4-fluoroanilino)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

Related Compounds

(3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione
CID 98395221
3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 138958718
3-(4-butylanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 138958737
(3S)-1-(4-butylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]pyrrolidine-2,5-dione
CID 51509723
3-(4-butylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 138958684
(3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione
CID 710161
(3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7928162
4-[[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzamide
CID 9326089
3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2877398
(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7025063
3-(4-butylanilino)pyrrolidine-2,5-dione
CID 43637893
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione (CID 138958736) is 1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione is CCCCc1ccc(N2C(=O)CC(Nc3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione?
The InChIKey is LEHVDTXPJUPQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-2-3-4-14-5-11-17(12-6-14)23-19(24)13-18(20(23)25)22-16-9-7-15(21)8-10-16/h5-12,18,22H,2-4,13H2,1H3.
What are the key properties of 1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione?
1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione has a molecular weight of 340.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 138958736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).