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

C19H18FNO2 — CID 2868197

IUPAC1-(4-fluorophenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CC2C(=O)N(c3ccc(F)cc3)C(=O)C2C)cc1
InChIInChI=1S/C19H18FNO2/c1-12-3-5-14(6-4-12)11-17-13(2)18(22)21(19(17)23)16-9-7-15(20)8-10-16/h3-10,13,17H,11H2,1-2H3
InChIKeyCCBJOSXASWBFCH-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.50
Rot. Bonds3

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

1-(4-fluorophenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 2868197) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID2868197
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name1-(4-fluorophenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CC2C(=O)N(c3ccc(F)cc3)C(=O)C2C)cc1
InChIInChI=1S/C19H18FNO2/c1-12-3-5-14(6-4-12)11-17-13(2)18(22)21(19(17)23)16-9-7-15(20)8-10-16/h3-10,13,17H,11H2,1-2H3
InChIKeyCCBJOSXASWBFCH-UHFFFAOYSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-3-methyl-4-[(4-methylphenyl)methyl]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

ST4026792
CID 556822
2-(2-ethylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CID 2872879
(2R,6S)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 44392288
1-(2,5-Dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
CID 2846955
2-(4-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CID 2860972
1-Phenyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865487
1-(4-Methylphenyl)-5-oxo-2-phenylpyrrolidine-2-carbonitrile
CID 3400758
1-(4-fluorophenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 5153399
4-Ethyl-3-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 18772493
(2R,6S)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione
CID 44392302
1-(2,5-Dimethylphenyl)-3-methyl-4-(4-methylbenzyl)pyrrolidine-2,5-dione
CID 2865614
1-(4-Tert-butylphenyl)-3-phenylpyrrolidine-2,5-dione
CID 2825989

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (CID 2868197) is 1-(4-fluorophenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is Cc1ccc(CC2C(=O)N(c3ccc(F)cc3)C(=O)C2C)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is CCBJOSXASWBFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-12-3-5-14(6-4-12)11-17-13(2)18(22)21(19(17)23)16-9-7-15(20)8-10-16/h3-10,13,17H,11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
1-(4-fluorophenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 311.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2868197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).