4-chloro-N-[2-(4-fluorophenoxy)ethyl]pyridine-2-carboxamide

C14H12ClFN2O2 — CID 37360728

IUPAC4-chloro-N-[2-(4-fluorophenoxy)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)c1cc(Cl)ccn1
InChIInChI=1S/C14H12ClFN2O2/c15-10-5-6-17-13(9-10)14(19)18-7-8-20-12-3-1-11(16)2-4-12/h1-6,9H,7-8H2,(H,18,19)
InChIKeySWCDWGKJGLJVTG-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.68
Rot. Bonds5

About 4-chloro-N-[2-(4-fluorophenoxy)ethyl]pyridine-2-carboxamide

4-chloro-N-[2-(4-fluorophenoxy)ethyl]pyridine-2-carboxamide (PubChem CID 37360728) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-fluorophenoxy)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-fluorophenoxy)ethyl]pyridine-2-carboxamide
PubChem CID37360728
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name4-chloro-N-[2-(4-fluorophenoxy)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)c1cc(Cl)ccn1
InChIInChI=1S/C14H12ClFN2O2/c15-10-5-6-17-13(9-10)14(19)18-7-8-20-12-3-1-11(16)2-4-12/h1-6,9H,7-8H2,(H,18,19)
InChIKeySWCDWGKJGLJVTG-UHFFFAOYSA-N
XLogP2.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.68
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 4-chloro-N-[2-(4-fluorophenoxy)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(4-fluorophenoxy)ethyl]pyridine-2-carboxamide (CID 37360728) is 4-chloro-N-[2-(4-fluorophenoxy)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(4-fluorophenoxy)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(4-fluorophenoxy)ethyl]pyridine-2-carboxamide is O=C(NCCOc1ccc(F)cc1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[2-(4-fluorophenoxy)ethyl]pyridine-2-carboxamide?
The InChIKey is SWCDWGKJGLJVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-10-5-6-17-13(9-10)14(19)18-7-8-20-12-3-1-11(16)2-4-12/h1-6,9H,7-8H2,(H,18,19).
What are the key properties of 4-chloro-N-[2-(4-fluorophenoxy)ethyl]pyridine-2-carboxamide?
4-chloro-N-[2-(4-fluorophenoxy)ethyl]pyridine-2-carboxamide has a molecular weight of 294.71 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-fluorophenoxy)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 37360728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).