2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide

C15H14F2N2O2 — CID 61294548

IUPAC2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)c1ccnc(F)c1
InChIInChI=1S/C15H14F2N2O2/c1-19(15(20)11-6-7-18-14(17)10-11)8-9-21-13-5-3-2-4-12(13)16/h2-7,10H,8-9H2,1H3
InChIKeyCFTIAFMXIBQMLA-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.51
Rot. Bonds5

About 2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide

2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide (PubChem CID 61294548) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
PubChem CID61294548
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)c1ccnc(F)c1
InChIInChI=1S/C15H14F2N2O2/c1-19(15(20)11-6-7-18-14(17)10-11)8-9-21-13-5-3-2-4-12(13)16/h2-7,10H,8-9H2,1H3
InChIKeyCFTIAFMXIBQMLA-UHFFFAOYSA-N
XLogP2.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 60692835
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
N-[2-(2-fluorophenoxy)ethyl]-N-methylnaphthalene-2-carboxamide
CID 26960272
3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 60936955
2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 80710277
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 17412880
2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
CID 63693462
6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60675865
N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide
CID 18119969
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-phenoxybenzamide
CID 18282160
N-[2-(2-fluorophenoxy)ethyl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
CID 60958776

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide (CID 61294548) is 2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide is CN(CCOc1ccccc1F)C(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is CFTIAFMXIBQMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-19(15(20)11-6-7-18-14(17)10-11)8-9-21-13-5-3-2-4-12(13)16/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide?
2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 61294548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).