4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one

C17H22FNO2 — CID 104512227

IUPAC4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(CCC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H22FNO2/c1-17(2,3)13-10-16(21)19(11-13)9-8-15(20)12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKeyLYQCYAFFHVBSMM-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.29
Rot. Bonds4

About 4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one

4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one (PubChem CID 104512227) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one
PubChem CID104512227
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(CCC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H22FNO2/c1-17(2,3)13-10-16(21)19(11-13)9-8-15(20)12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKeyLYQCYAFFHVBSMM-UHFFFAOYSA-N
XLogP3.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-tert-butyl-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512255
1-[3-(4-fluorophenyl)-3-oxopropyl]azetidin-2-one
CID 143425472
4-tert-butyl-1-[2-(2,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512276
4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512277
3-[3-(4-fluorophenyl)-3-oxopropyl]-1,3-oxazolidin-2-one
CID 62023163
1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione
CID 79937414
1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one
CID 104510945
4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione
CID 66062553
1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione
CID 167776034
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-one
CID 43793238
2-[3-(4-fluorophenyl)-3-oxopropyl]-3H-isoindol-1-one
CID 62025088
4-tert-butyl-2-[2-(4-fluorophenyl)-2-oxoethyl]cyclohexan-1-one
CID 83290485

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one (CID 104512227) is 4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one is CC(C)(C)C1CC(=O)N(CCC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one?
The InChIKey is LYQCYAFFHVBSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-17(2,3)13-10-16(21)19(11-13)9-8-15(20)12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3.
What are the key properties of 4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one?
4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 291.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 104512227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).