N-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide

C14H10F4N2O2 — CID 681610

IUPACN-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2c(F)c(F)cc(F)c2F)nc1
InChIInChI=1S/C14H10F4N2O2/c1-7-2-3-10(19-5-7)20-11(21)6-22-14-12(17)8(15)4-9(16)13(14)18/h2-5H,6H2,1H3,(H,19,20,21)
InChIKeyFXEWTLWZTLMXCG-UHFFFAOYSA-N
MW314.24 g/mol
LogP2.96
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide

N-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide (PubChem CID 681610) has the molecular formula C14H10F4N2O2 and a molecular weight of 314.24 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
PubChem CID681610
Molecular FormulaC14H10F4N2O2
Molecular Weight314.24 g/mol
Exact Mass314.07
IUPAC NameN-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2c(F)c(F)cc(F)c2F)nc1
InChIInChI=1S/C14H10F4N2O2/c1-7-2-3-10(19-5-7)20-11(21)6-22-14-12(17)8(15)4-9(16)13(14)18/h2-5H,6H2,1H3,(H,19,20,21)
InChIKeyFXEWTLWZTLMXCG-UHFFFAOYSA-N
XLogP2.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 46651554
2-(2,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 837547
N-(2-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2558525
N-(2,6-diethylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 7467725
1-(2,4-dimethylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778164
2-(2,3-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 35022382
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
N-(5-methyl-2-pyridinyl)-2-(4-propanoylphenoxy)acetamide
CID 18106801
2-(2-benzylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 60521789
N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2558535
N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide
CID 7467659
N-(3-methylsulfanylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 112778206

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide (CID 681610) is N-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide is Cc1ccc(NC(=O)COc2c(F)c(F)cc(F)c2F)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The InChIKey is FXEWTLWZTLMXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O2/c1-7-2-3-10(19-5-7)20-11(21)6-22-14-12(17)8(15)4-9(16)13(14)18/h2-5H,6H2,1H3,(H,19,20,21).
What are the key properties of N-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
N-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide has a molecular weight of 314.24 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide is sourced from PubChem (CID 681610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).