1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide

C18H24FN3O3 — CID 46062378

IUPAC1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCN(c2cccc(F)c2)C1=O
InChIInChI=1S/C18H24FN3O3/c19-14-3-1-4-15(13-14)22-8-5-16(18(22)24)17(23)20-6-2-7-21-9-11-25-12-10-21/h1,3-4,13,16H,2,5-12H2,(H,20,23)
InChIKeyVTSXKLCOMBUDJI-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.02
Rot. Bonds6

About 1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide

1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 46062378) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID46062378
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCN(c2cccc(F)c2)C1=O
InChIInChI=1S/C18H24FN3O3/c19-14-3-1-4-15(13-14)22-8-5-16(18(22)24)17(23)20-6-2-7-21-9-11-25-12-10-21/h1,3-4,13,16H,2,5-12H2,(H,20,23)
InChIKeyVTSXKLCOMBUDJI-UHFFFAOYSA-N
XLogP1.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide (CID 46062378) is 1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide is O=C(NCCCN1CCOCC1)C1CCN(c2cccc(F)c2)C1=O.
What is the InChIKey of 1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is VTSXKLCOMBUDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c19-14-3-1-4-15(13-14)22-8-5-16(18(22)24)17(23)20-6-2-7-21-9-11-25-12-10-21/h1,3-4,13,16H,2,5-12H2,(H,20,23).
What are the key properties of 1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide?
1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46062378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).