1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione

C15H13FN2O2S — CID 566375

IUPAC1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2cccs2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O2S/c16-10-3-5-11(6-4-10)18-14(19)8-13(15(18)20)17-9-12-2-1-7-21-12/h1-7,13,17H,8-9H2
InChIKeyBDDMNUHEJNZGEY-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.31
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione

1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 566375) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID566375
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2cccs2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O2S/c16-10-3-5-11(6-4-10)18-14(19)8-13(15(18)20)17-9-12-2-1-7-21-12/h1-7,13,17H,8-9H2
InChIKeyBDDMNUHEJNZGEY-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.31
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

N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide
CID 4097692
(3R)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820410
(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820411
4-[[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]-3-phenyloxadiazol-3-ium-5-olate
CID 53295394
(3S)-1-[4-[(3S)-2,5-dioxo-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidin-1-yl]phenyl]-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2,5-dione
CID 125117834
(3R)-3-[(3-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 1311152
3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2890402
3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2877398
3-(3-ethoxypropylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 71670005
1-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 40913216
(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione
CID 93235253
3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 43844748

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione (CID 566375) is 1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione is O=C1CC(NCc2cccs2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is BDDMNUHEJNZGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c16-10-3-5-11(6-4-10)18-14(19)8-13(15(18)20)17-9-12-2-1-7-21-12/h1-7,13,17H,8-9H2.
What are the key properties of 1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione?
1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 304.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 566375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).