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

C15H19FN2O2 — CID 24845406

IUPAC5-[(4-fluorophenyl)methyl]-N,3,3-trimethyl-2-oxopyrrolidine-1-carboxamide
SMILESCNC(=O)N1C(=O)C(C)(C)CC1Cc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c1-15(2)9-12(18(13(15)19)14(20)17-3)8-10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)
InChIKeyDRRNCNOEWUDWGR-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.33
Rot. Bonds2

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

5-[(4-fluorophenyl)methyl]-N,3,3-trimethyl-2-oxopyrrolidine-1-carboxamide (PubChem CID 24845406) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N,3,3-trimethyl-2-oxopyrrolidine-1-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N,3,3-trimethyl-2-oxopyrrolidine-1-carboxamide
PubChem CID24845406
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name5-[(4-fluorophenyl)methyl]-N,3,3-trimethyl-2-oxopyrrolidine-1-carboxamide
SMILESCNC(=O)N1C(=O)C(C)(C)CC1Cc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c1-15(2)9-12(18(13(15)19)14(20)17-3)8-10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)
InChIKeyDRRNCNOEWUDWGR-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(4-fluorophenyl)methyl]-N,3,3-trimethyl-2-oxopyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N,3,3-trimethyl-2-oxopyrrolidine-1-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N,3,3-trimethyl-2-oxopyrrolidine-1-carboxamide (CID 24845406) is 5-[(4-fluorophenyl)methyl]-N,3,3-trimethyl-2-oxopyrrolidine-1-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N,3,3-trimethyl-2-oxopyrrolidine-1-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N,3,3-trimethyl-2-oxopyrrolidine-1-carboxamide is CNC(=O)N1C(=O)C(C)(C)CC1Cc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N,3,3-trimethyl-2-oxopyrrolidine-1-carboxamide?
The InChIKey is DRRNCNOEWUDWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-15(2)9-12(18(13(15)19)14(20)17-3)8-10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,20).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N,3,3-trimethyl-2-oxopyrrolidine-1-carboxamide?
5-[(4-fluorophenyl)methyl]-N,3,3-trimethyl-2-oxopyrrolidine-1-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N,3,3-trimethyl-2-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 24845406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).