6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide

C15H14ClFN2O2 — CID 60675865

IUPAC6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H14ClFN2O2/c1-19(15(20)11-6-7-14(16)18-10-11)8-9-21-13-5-3-2-4-12(13)17/h2-7,10H,8-9H2,1H3
InChIKeyMBXJICVRIDZBHB-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.03
Rot. Bonds5

About 6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide

6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide (PubChem CID 60675865) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
PubChem CID60675865
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H14ClFN2O2/c1-19(15(20)11-6-7-14(16)18-10-11)8-9-21-13-5-3-2-4-12(13)17/h2-7,10H,8-9H2,1H3
InChIKeyMBXJICVRIDZBHB-UHFFFAOYSA-N
XLogP3.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.03
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

6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60676105
2-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 60692835
N-[2-(2-fluorophenoxy)ethyl]-N-methylnaphthalene-2-carboxamide
CID 26960272
2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 61294548
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide
CID 18119969
N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31342972
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 60936955
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 55760023
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 17412880
6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 61381204

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide (CID 60675865) is 6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide is CN(CCOc1ccccc1F)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide?
The InChIKey is MBXJICVRIDZBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-19(15(20)11-6-7-14(16)18-10-11)8-9-21-13-5-3-2-4-12(13)17/h2-7,10H,8-9H2,1H3.
What are the key properties of 6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide?
6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide has a molecular weight of 308.74 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 60675865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).