N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide

C13H17FN2O2 — CID 110481245

IUPACN-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCOc1ccccc1F)C1CCCN1
InChIInChI=1S/C13H17FN2O2/c14-10-4-1-2-6-12(10)18-9-8-16-13(17)11-5-3-7-15-11/h1-2,4,6,11,15H,3,5,7-9H2,(H,16,17)
InChIKeyQOTUASDEIKXVDN-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.07
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide

N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide (PubChem CID 110481245) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide
PubChem CID110481245
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCOc1ccccc1F)C1CCCN1
InChIInChI=1S/C13H17FN2O2/c14-10-4-1-2-6-12(10)18-9-8-16-13(17)11-5-3-7-15-11/h1-2,4,6,11,15H,3,5,7-9H2,(H,16,17)
InChIKeyQOTUASDEIKXVDN-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
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 N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide (CID 110481245) is N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide is O=C(NCCOc1ccccc1F)C1CCCN1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is QOTUASDEIKXVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-10-4-1-2-6-12(10)18-9-8-16-13(17)11-5-3-7-15-11/h1-2,4,6,11,15H,3,5,7-9H2,(H,16,17).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110481245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).