1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione

C16H12ClFN2O2 — CID 43844780

IUPAC1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccccc2F)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C16H12ClFN2O2/c17-10-5-1-4-8-14(10)20-15(21)9-13(16(20)22)19-12-7-3-2-6-11(12)18/h1-8,13,19H,9H2
InChIKeyUSEQOVSEHLHPLP-UHFFFAOYSA-N
MW318.74 g/mol
LogP3.22
Rot. Bonds3

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

1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione (PubChem CID 43844780) has the molecular formula C16H12ClFN2O2 and a molecular weight of 318.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
PubChem CID43844780
Molecular FormulaC16H12ClFN2O2
Molecular Weight318.74 g/mol
Exact Mass318.06
IUPAC Name1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccccc2F)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C16H12ClFN2O2/c17-10-5-1-4-8-14(10)20-15(21)9-13(16(20)22)19-12-7-3-2-6-11(12)18/h1-8,13,19H,9H2
InChIKeyUSEQOVSEHLHPLP-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-chlorophenyl)-3-(2-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)-1-(2,3-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860353
3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 43844574
1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844934
(3S)-1-(2-fluorophenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 93235246
1-(2-ethoxyphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844668
3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 43844787
(3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
CID 98187931
3-(4-chloroanilino)-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 19163739
(3S)-3-(2,3-dichloroanilino)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 51860053
(3R)-1-(2,6-dimethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 98188016
1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 43844879
(3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98188367

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione (CID 43844780) is 1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione is O=C1CC(Nc2ccccc2F)C(=O)N1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
The InChIKey is USEQOVSEHLHPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2/c17-10-5-1-4-8-14(10)20-15(21)9-13(16(20)22)19-12-7-3-2-6-11(12)18/h1-8,13,19H,9H2.
What are the key properties of 1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione has a molecular weight of 318.74 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).