2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide

C16H19ClFN3O2 — CID 88659332

IUPAC2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide
SMILESCc1cccc(OCCF)c1N(C(=O)CCl)C(C)n1cccn1
InChIInChI=1S/C16H19ClFN3O2/c1-12-5-3-6-14(23-10-7-18)16(12)21(15(22)11-17)13(2)20-9-4-8-19-20/h3-6,8-9,13H,7,10-11H2,1-2H3
InChIKeyDISNKOWTTPJRKY-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.33
Rot. Bonds7

About 2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide

2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide (PubChem CID 88659332) has the molecular formula C16H19ClFN3O2 and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide
PubChem CID88659332
Molecular FormulaC16H19ClFN3O2
Molecular Weight339.80 g/mol
Exact Mass339.11
IUPAC Name2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide
SMILESCc1cccc(OCCF)c1N(C(=O)CCl)C(C)n1cccn1
InChIInChI=1S/C16H19ClFN3O2/c1-12-5-3-6-14(23-10-7-18)16(12)21(15(22)11-17)13(2)20-9-4-8-19-20/h3-6,8-9,13H,7,10-11H2,1-2H3
InChIKeyDISNKOWTTPJRKY-UHFFFAOYSA-N
XLogP3.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide?
The IUPAC name of 2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide (CID 88659332) is 2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for 2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide is Cc1cccc(OCCF)c1N(C(=O)CCl)C(C)n1cccn1.
What is the InChIKey of 2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide?
The InChIKey is DISNKOWTTPJRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O2/c1-12-5-3-6-14(23-10-7-18)16(12)21(15(22)11-17)13(2)20-9-4-8-19-20/h3-6,8-9,13H,7,10-11H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide?
2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide has a molecular weight of 339.80 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 88659332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).