3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione

C12H13FN2O2 — CID 81379800

IUPAC3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione
SMILESC[C@@H](NC1CC(=O)NC1=O)c1ccccc1F
InChIInChI=1S/C12H13FN2O2/c1-7(8-4-2-3-5-9(8)13)14-10-6-11(16)15-12(10)17/h2-5,7,10,14H,6H2,1H3,(H,15,16,17)/t7-,10?/m1/s1
InChIKeyJACIBMOUDDLFKE-PVSHWOEXSA-N
MW236.25 g/mol
LogP0.89
Rot. Bonds3

About 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione

3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione (PubChem CID 81379800) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione
PubChem CID81379800
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione
SMILESC[C@@H](NC1CC(=O)NC1=O)c1ccccc1F
InChIInChI=1S/C12H13FN2O2/c1-7(8-4-2-3-5-9(8)13)14-10-6-11(16)15-12(10)17/h2-5,7,10,14H,6H2,1H3,(H,15,16,17)/t7-,10?/m1/s1
InChIKeyJACIBMOUDDLFKE-PVSHWOEXSA-N
XLogP0.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione
CID 81348257
3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]pyrrolidine-2,5-dione
CID 81352768
3-[1-(2,6-difluorophenyl)propan-2-ylamino]pyrrolidine-2,5-dione
CID 54866793
3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one
CID 55033727
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-1-methylpyrrolidine-2,5-dione
CID 107358021
3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione
CID 177240512
3-(1-phenylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 63011087
3-(1-thiophen-3-ylethylamino)pyrrolidine-2,5-dione
CID 62840128
3-[1-(2-fluorophenyl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 60933603
N-[1-(2-fluorophenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79353390
3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81370958
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione (CID 81379800) is 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione is C[C@@H](NC1CC(=O)NC1=O)c1ccccc1F.
What is the InChIKey of 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione?
The InChIKey is JACIBMOUDDLFKE-PVSHWOEXSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-7(8-4-2-3-5-9(8)13)14-10-6-11(16)15-12(10)17/h2-5,7,10,14H,6H2,1H3,(H,15,16,17)/t7-,10?/m1/s1.
What are the key properties of 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione?
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione has a molecular weight of 236.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 81379800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).