N-(2-chloro-3-pyridinyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide

C16H17ClFN3O2 — CID 16567754

IUPACN-(2-chloro-3-pyridinyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
SMILESCN(CCOc1ccccc1F)CC(=O)Nc1cccnc1Cl
InChIInChI=1S/C16H17ClFN3O2/c1-21(9-10-23-14-7-3-2-5-12(14)18)11-15(22)20-13-6-4-8-19-16(13)17/h2-8H,9-11H2,1H3,(H,20,22)
InChIKeyURGNRNHZPJVHEY-UHFFFAOYSA-N
MW337.78 g/mol
LogP2.82
Rot. Bonds7

About N-(2-chloro-3-pyridinyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide

N-(2-chloro-3-pyridinyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide (PubChem CID 16567754) has the molecular formula C16H17ClFN3O2 and a molecular weight of 337.78 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
PubChem CID16567754
Molecular FormulaC16H17ClFN3O2
Molecular Weight337.78 g/mol
Exact Mass337.10
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
SMILESCN(CCOc1ccccc1F)CC(=O)Nc1cccnc1Cl
InChIInChI=1S/C16H17ClFN3O2/c1-21(9-10-23-14-7-3-2-5-12(14)18)11-15(22)20-13-6-4-8-19-16(13)17/h2-8H,9-11H2,1H3,(H,20,22)
InChIKeyURGNRNHZPJVHEY-UHFFFAOYSA-N
XLogP2.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide (CID 16567754) is N-(2-chloro-3-pyridinyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide is CN(CCOc1ccccc1F)CC(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
The InChIKey is URGNRNHZPJVHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O2/c1-21(9-10-23-14-7-3-2-5-12(14)18)11-15(22)20-13-6-4-8-19-16(13)17/h2-8H,9-11H2,1H3,(H,20,22).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
N-(2-chloro-3-pyridinyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide has a molecular weight of 337.78 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide is sourced from PubChem (CID 16567754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).