3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione

C23H23FN2O3 — CID 110578906

IUPAC3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCOCC3)C(=O)N(Cc3ccccc3F)C2=O)c(C)c1
InChIInChI=1S/C23H23FN2O3/c1-15-7-8-18(16(2)13-15)20-21(25-9-11-29-12-10-25)23(28)26(22(20)27)14-17-5-3-4-6-19(17)24/h3-8,13H,9-12,14H2,1-2H3
InChIKeyVOGSCNGFVWVXDD-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.05
Rot. Bonds4

About 3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione

3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 110578906) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID110578906
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCOCC3)C(=O)N(Cc3ccccc3F)C2=O)c(C)c1
InChIInChI=1S/C23H23FN2O3/c1-15-7-8-18(16(2)13-15)20-21(25-9-11-29-12-10-25)23(28)26(22(20)27)14-17-5-3-4-6-19(17)24/h3-8,13H,9-12,14H2,1-2H3
InChIKeyVOGSCNGFVWVXDD-UHFFFAOYSA-N
XLogP3.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-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-(2,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)-1-[(2-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110578908
3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110578910
3-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546953
3-(2,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110578881
3-(2,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylpyrrole-2,5-dione
CID 110577918
3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione
CID 110578842
1-[(2-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110578138
3-(2,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110579159
1-(2-chlorophenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110580567
3-(2,4-dimethylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110578882
3-[bis(2-methoxyethyl)amino]-4-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110578916
1-(4-tert-butylphenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110579907

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione (CID 110578906) is 3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione is Cc1ccc(C2=C(N3CCOCC3)C(=O)N(Cc3ccccc3F)C2=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is VOGSCNGFVWVXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-15-7-8-18(16(2)13-15)20-21(25-9-11-29-12-10-25)23(28)26(22(20)27)14-17-5-3-4-6-19(17)24/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione?
3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 394.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 110578906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).