1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C21H23FN2O2 — CID 55335340

IUPAC1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)c1ccccc1N1CC(C(=O)Nc2ccccc2F)CC1=O
InChIInChI=1S/C21H23FN2O2/c1-3-14(2)16-8-4-7-11-19(16)24-13-15(12-20(24)25)21(26)23-18-10-6-5-9-17(18)22/h4-11,14-15H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyFMUQGTKFPRJETK-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.33
Rot. Bonds5

About 1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55335340) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55335340
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)c1ccccc1N1CC(C(=O)Nc2ccccc2F)CC1=O
InChIInChI=1S/C21H23FN2O2/c1-3-14(2)16-8-4-7-11-19(16)24-13-15(12-20(24)25)21(26)23-18-10-6-5-9-17(18)22/h4-11,14-15H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyFMUQGTKFPRJETK-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42903767
S-[2-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56576735
1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55333082
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30244943
(3S)-N-[2-[(2R)-butan-2-yl]phenyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7337338
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 27536786
N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080589
1-(2-butan-2-ylphenyl)-N-(1-hydroxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78856916
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7947509
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8761294
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 95165205

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 55335340) is 1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is CCC(C)c1ccccc1N1CC(C(=O)Nc2ccccc2F)CC1=O.
What is the InChIKey of 1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FMUQGTKFPRJETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-3-14(2)16-8-4-7-11-19(16)24-13-15(12-20(24)25)21(26)23-18-10-6-5-9-17(18)22/h4-11,14-15H,3,12-13H2,1-2H3,(H,23,26).
What are the key properties of 1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55335340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).