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

C17H15FN2O2 — CID 820411

IUPAC(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](NCc2ccccc2F)C(=O)N1c1ccccc1
InChIInChI=1S/C17H15FN2O2/c18-14-9-5-4-6-12(14)11-19-15-10-16(21)20(17(15)22)13-7-2-1-3-8-13/h1-9,15,19H,10-11H2/t15-/m0/s1
InChIKeyGCSJHFTXUYLBSB-HNNXBMFYSA-N
MW298.32 g/mol
LogP2.25
Rot. Bonds4

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

(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione (PubChem CID 820411) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is (3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
PubChem CID820411
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](NCc2ccccc2F)C(=O)N1c1ccccc1
InChIInChI=1S/C17H15FN2O2/c18-14-9-5-4-6-12(14)11-19-15-10-16(21)20(17(15)22)13-7-2-1-3-8-13/h1-9,15,19H,10-11H2/t15-/m0/s1
InChIKeyGCSJHFTXUYLBSB-HNNXBMFYSA-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

(3R)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820410
(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
3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577
(3R)-3-[(3-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 1311152
3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 4064727
(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153
1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride
CID 53440488
3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2890402
3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid
CID 51602829
1-phenyl-3-(2-phenylhydrazinyl)pyrrolidine-2,5-dione
CID 3731496
4-[(2-fluorophenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 43763715
3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 82873070

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione (CID 820411) is (3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione is O=C1C[C@H](NCc2ccccc2F)C(=O)N1c1ccccc1.
What is the InChIKey of (3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is GCSJHFTXUYLBSB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-14-9-5-4-6-12(14)11-19-15-10-16(21)20(17(15)22)13-7-2-1-3-8-13/h1-9,15,19H,10-11H2/t15-/m0/s1.
What are the key properties of (3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione?
(3S)-3-[(2-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 (3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 820411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).