1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide

C17H23FN2O3 — CID 2927038

IUPAC1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O3/c1-12(2)23-9-3-8-19-17(22)13-10-16(21)20(11-13)15-6-4-14(18)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyUJLPXUANUUPFJK-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.11
Rot. Bonds7

About 1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide

1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide (PubChem CID 2927038) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
PubChem CID2927038
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O3/c1-12(2)23-9-3-8-19-17(22)13-10-16(21)20(11-13)15-6-4-14(18)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyUJLPXUANUUPFJK-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide (CID 2927038) is 1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide is CC(C)OCCCNC(=O)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide?
The InChIKey is UJLPXUANUUPFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-12(2)23-9-3-8-19-17(22)13-10-16(21)20(11-13)15-6-4-14(18)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,22).
What are the key properties of 1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2927038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).