1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide

C15H19FN2O2 — CID 110373855

IUPAC1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)CNC(=O)C1CCC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c1-10(2)9-17-15(20)13-7-8-14(19)18(13)12-5-3-11(16)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,17,20)
InChIKeyJHXKMRRVQWAOAP-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.09
Rot. Bonds4

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

1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110373855) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110373855
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)CNC(=O)C1CCC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c1-10(2)9-17-15(20)13-7-8-14(19)18(13)12-5-3-11(16)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,17,20)
InChIKeyJHXKMRRVQWAOAP-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373922
1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 110373868
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110373885
methyl (2S)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 42261076
1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 110374046
N-cyclopentyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373858
N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110608605
N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373944
N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373964
5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 110373871
N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373746
N-butan-2-yl-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110406874

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide (CID 110373855) is 1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide is CC(C)CNC(=O)C1CCC(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is JHXKMRRVQWAOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-10(2)9-17-15(20)13-7-8-14(19)18(13)12-5-3-11(16)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,17,20).
What are the key properties of 1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide?
1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110373855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).