1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide

C20H21FN2O2 — CID 46159234

IUPAC1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCC(C(=O)NCc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C20H21FN2O2/c1-13-9-14(2)11-17(10-13)23-8-7-18(20(23)25)19(24)22-12-15-3-5-16(21)6-4-15/h3-6,9-11,18H,7-8,12H2,1-2H3,(H,22,24)
InChIKeyRJLIUJITGIELBH-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.11
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide

1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 46159234) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID46159234
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCC(C(=O)NCc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C20H21FN2O2/c1-13-9-14(2)11-17(10-13)23-8-7-18(20(23)25)19(24)22-12-15-3-5-16(21)6-4-15/h3-6,9-11,18H,7-8,12H2,1-2H3,(H,22,24)
InChIKeyRJLIUJITGIELBH-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide (CID 46159234) is 1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide is Cc1cc(C)cc(N2CCC(C(=O)NCc3ccc(F)cc3)C2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is RJLIUJITGIELBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13-9-14(2)11-17(10-13)23-8-7-18(20(23)25)19(24)22-12-15-3-5-16(21)6-4-15/h3-6,9-11,18H,7-8,12H2,1-2H3,(H,22,24).
What are the key properties of 1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46159234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).