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

C18H17FN2O3 — CID 43844693

IUPAC1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(Nc3cccc(F)c3)C2=O)cc1
InChIInChI=1S/C18H17FN2O3/c1-2-24-15-8-6-14(7-9-15)21-17(22)11-16(18(21)23)20-13-5-3-4-12(19)10-13/h3-10,16,20H,2,11H2,1H3
InChIKeyGGCNZECCORDTNT-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.97
Rot. Bonds5

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

1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione (PubChem CID 43844693) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
PubChem CID43844693
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(Nc3cccc(F)c3)C2=O)cc1
InChIInChI=1S/C18H17FN2O3/c1-2-24-15-8-6-14(7-9-15)21-17(22)11-16(18(21)23)20-13-5-3-4-12(19)10-13/h3-10,16,20H,2,11H2,1H3
InChIKeyGGCNZECCORDTNT-UHFFFAOYSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-ethoxyphenyl)-3-(3-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

3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione
CID 43410376
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
(3R)-3-(3-chloroanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7410238
(3S)-1-[4-(difluoromethylsulfanyl)phenyl]-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2242272
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 43844549
1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2877269
(3S)-3-(2,3-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 51860190
(3R)-3-(2,3-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 98188196
1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844800
(3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 51860191
3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 42890342

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione (CID 43844693) is 1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)CC(Nc3cccc(F)c3)C2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione?
The InChIKey is GGCNZECCORDTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-2-24-15-8-6-14(7-9-15)21-17(22)11-16(18(21)23)20-13-5-3-4-12(19)10-13/h3-10,16,20H,2,11H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione?
1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione has a molecular weight of 328.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).