3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione

C12H12ClFN2O2 — CID 114452960

IUPAC3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCc2cc(F)cc(Cl)c2)C1=O
InChIInChI=1S/C12H12ClFN2O2/c1-16-11(17)5-10(12(16)18)15-6-7-2-8(13)4-9(14)3-7/h2-4,10,15H,5-6H2,1H3
InChIKeyLFSRUEDRYBPYHA-UHFFFAOYSA-N
MW270.69 g/mol
LogP1.33
Rot. Bonds3

About 3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione

3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione (PubChem CID 114452960) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is 3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione
PubChem CID114452960
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCc2cc(F)cc(Cl)c2)C1=O
InChIInChI=1S/C12H12ClFN2O2/c1-16-11(17)5-10(12(16)18)15-6-7-2-8(13)4-9(14)3-7/h2-4,10,15H,5-6H2,1H3
InChIKeyLFSRUEDRYBPYHA-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.33
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

1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 43635991
3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 2858584
N-[(3-chloro-5-fluorophenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114452947
3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 60872220
4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 742569
3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 62991848
3-[(2-fluoro-3-nitrophenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 107349256
3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-2,5-dione
CID 79055313
1-tert-butyl-N-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-amine
CID 114452693
1-[4-[(3-chloro-5-fluorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 114452598
3-[(3-chloro-4-fluorophenyl)methylamino]-1-cyclopropylpyrrolidine-2,5-dione
CID 62537611
1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 114699422

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione (CID 114452960) is 3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(NCc2cc(F)cc(Cl)c2)C1=O.
What is the InChIKey of 3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is LFSRUEDRYBPYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c1-16-11(17)5-10(12(16)18)15-6-7-2-8(13)4-9(14)3-7/h2-4,10,15H,5-6H2,1H3.
What are the key properties of 3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione?
3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 270.69 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 114452960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).