1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione

C20H21FN2O2 — CID 24614711

IUPAC1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)CC(N(C)Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C20H21FN2O2/c1-13-5-4-6-14(2)19(13)23-18(24)11-17(20(23)25)22(3)12-15-7-9-16(21)10-8-15/h4-10,17H,11-12H2,1-3H3
InChIKeyYPTIFIUSZRFBNT-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.21
Rot. Bonds4

About 1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione

1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione (PubChem CID 24614711) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
PubChem CID24614711
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)CC(N(C)Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C20H21FN2O2/c1-13-5-4-6-14(2)19(13)23-18(24)11-17(20(23)25)22(3)12-15-7-9-16(21)10-8-15/h4-10,17H,11-12H2,1-3H3
InChIKeyYPTIFIUSZRFBNT-UHFFFAOYSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione (CID 24614711) is 1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione is Cc1cccc(C)c1N1C(=O)CC(N(C)Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione?
The InChIKey is YPTIFIUSZRFBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13-5-4-6-14(2)19(13)23-18(24)11-17(20(23)25)22(3)12-15-7-9-16(21)10-8-15/h4-10,17H,11-12H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione?
1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione has a molecular weight of 340.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 24614711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).