3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione

C17H15FN2O2 — CID 2877115

IUPAC3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccc(F)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H15FN2O2/c18-13-8-6-12(7-9-13)11-19-15-10-16(21)20(17(15)22)14-4-2-1-3-5-14/h1-9,15,19H,10-11H2
InChIKeyOAGXPHPNDYSICI-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.25
Rot. Bonds4

About 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione

3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione (PubChem CID 2877115) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
PubChem CID2877115
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccc(F)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H15FN2O2/c18-13-8-6-12(7-9-13)11-19-15-10-16(21)20(17(15)22)14-4-2-1-3-5-14/h1-9,15,19H,10-11H2
InChIKeyOAGXPHPNDYSICI-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(benzylamino)-N-(4-fluorophenyl)acetamide
CID 670654
N-cyclopropyl-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 3148502
1-Benzyl-3-(hydroxyanilino)-2,5-pyrrolidinedione
CID 2837843
1-Benzyl-3-(4-(4-morpholinyl)anilino)-2,5-pyrrolidinedione
CID 2861706
N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 3349055
4-(Phenylamino)-1-(phenylmethyl)-4-piperidinecarboxamide
CID 70668
N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
3-Anilino-1-phenylsuccinimide
CID 2792660
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N-(3-benzylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072556
N-([1,1'-Biphenyl]-3-yl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072557
1-(2-Fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 2867506

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione (CID 2877115) is 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione is O=C1CC(NCc2ccc(F)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is OAGXPHPNDYSICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-13-8-6-12(7-9-13)11-19-15-10-16(21)20(17(15)22)14-4-2-1-3-5-14/h1-9,15,19H,10-11H2.
What are the key properties of 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione?
3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 298.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2877115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).