N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide

C15H19FN2O2 — CID 110373922

IUPACN-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1CCC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c1-15(2,3)17-14(20)12-8-9-13(19)18(12)11-6-4-10(16)5-7-11/h4-7,12H,8-9H2,1-3H3,(H,17,20)
InChIKeyNKJDOYNITYFHKO-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.24
Rot. Bonds2

About N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide

N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110373922) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110373922
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1CCC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c1-15(2,3)17-14(20)12-8-9-13(19)18(12)11-6-4-10(16)5-7-11/h4-7,12H,8-9H2,1-3H3,(H,17,20)
InChIKeyNKJDOYNITYFHKO-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 42261076
N-cyclopentyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373858
1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110373855
N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373944
N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373964
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110373885
1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 110373868
N-(4-fluorophenyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 110420365
5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 110373871
N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373818
N-(2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110420250
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953391

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide (CID 110373922) is N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide is CC(C)(C)NC(=O)C1CCC(=O)N1c1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NKJDOYNITYFHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-15(2,3)17-14(20)12-8-9-13(19)18(12)11-6-4-10(16)5-7-11/h4-7,12H,8-9H2,1-3H3,(H,17,20).
What are the key properties of N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110373922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).