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

C18H17FN2O3 — CID 2877755

IUPAC3-[(4-fluorophenyl)methylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(NCc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C18H17FN2O3/c1-24-15-8-6-14(7-9-15)21-17(22)10-16(18(21)23)20-11-12-2-4-13(19)5-3-12/h2-9,16,20H,10-11H2,1H3
InChIKeyRTEBIUREGBSOSG-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.26
Rot. Bonds5

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

3-[(4-fluorophenyl)methylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2877755) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID2877755
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name3-[(4-fluorophenyl)methylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(NCc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C18H17FN2O3/c1-24-15-8-6-14(7-9-15)21-17(22)10-16(18(21)23)20-11-12-2-4-13(19)5-3-12/h2-9,16,20H,10-11H2,1H3
InChIKeyRTEBIUREGBSOSG-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Sembragiline
CID 10246762
Bms-986235
CID 122583088
Meppep
CID 25107855
1-Benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
CID 5288679
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
CID 4880035
1-Ethyl-3-[(4-methoxyphenyl)amino]-4-phenyl-1H-pyrrole-2,5-dione
CID 24768118
3-[(4-Methoxyphenyl)amino]-1-methyl-4-phenyl-1H-pyrrole-2,5-dione
CID 24768120
1-[(3S,4R)-4-(3-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 118132817
1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
CID 118132866
1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluorophenyl)urea
CID 118132868
1-[(3S,4R)-4-(2,5-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 118132901

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (CID 2877755) is 3-[(4-fluorophenyl)methylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(NCc3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is RTEBIUREGBSOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-24-15-8-6-14(7-9-15)21-17(22)10-16(18(21)23)20-11-12-2-4-13(19)5-3-12/h2-9,16,20H,10-11H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
3-[(4-fluorophenyl)methylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 328.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2877755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).