1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide

C18H25FN2O2 — CID 17310603

IUPAC1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCCCCNC(=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C18H25FN2O2/c1-2-3-4-5-6-11-20-18(23)14-12-17(22)21(13-14)16-9-7-15(19)8-10-16/h7-10,14H,2-6,11-13H2,1H3,(H,20,23)
InChIKeyALUQBQQGIQUHOQ-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.27
Rot. Bonds8

About 1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide

1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 17310603) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
PubChem CID17310603
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCCCCNC(=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C18H25FN2O2/c1-2-3-4-5-6-11-20-18(23)14-12-17(22)21(13-14)16-9-7-15(19)8-10-16/h7-10,14H,2-6,11-13H2,1H3,(H,20,23)
InChIKeyALUQBQQGIQUHOQ-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
diethyl-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium
CID 7421023
1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 46515706
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 9351944
(3R)-1-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 39040356
(3S)-1-[2-(4-fluorophenyl)ethyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 9373889
1-(1,3-benzodioxol-5-yl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 84503542
N-butyl-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189917
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 108793604

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide (CID 17310603) is 1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide is CCCCCCCNC(=O)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ALUQBQQGIQUHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-2-3-4-5-6-11-20-18(23)14-12-17(22)21(13-14)16-9-7-15(19)8-10-16/h7-10,14H,2-6,11-13H2,1H3,(H,20,23).
What are the key properties of 1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17310603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).