2-(2,4-difluorophenoxy)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide

C19H17F2N3O2 — CID 72930936

IUPAC2-(2,4-difluorophenoxy)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(F)cc1F)c1ccccc1-n1cccn1
InChIInChI=1S/C19H17F2N3O2/c1-13(15-5-2-3-6-17(15)24-10-4-9-22-24)23-19(25)12-26-18-8-7-14(20)11-16(18)21/h2-11,13H,12H2,1H3,(H,23,25)
InChIKeyDOEWOHVWURENGD-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.41
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide

2-(2,4-difluorophenoxy)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide (PubChem CID 72930936) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide
PubChem CID72930936
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name2-(2,4-difluorophenoxy)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(F)cc1F)c1ccccc1-n1cccn1
InChIInChI=1S/C19H17F2N3O2/c1-13(15-5-2-3-6-17(15)24-10-4-9-22-24)23-19(25)12-26-18-8-7-14(20)11-16(18)21/h2-11,13H,12H2,1H3,(H,23,25)
InChIKeyDOEWOHVWURENGD-UHFFFAOYSA-N
XLogP3.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide (CID 72930936) is 2-(2,4-difluorophenoxy)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide is CC(NC(=O)COc1ccc(F)cc1F)c1ccccc1-n1cccn1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is DOEWOHVWURENGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-13(15-5-2-3-6-17(15)24-10-4-9-22-24)23-19(25)12-26-18-8-7-14(20)11-16(18)21/h2-11,13H,12H2,1H3,(H,23,25).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide?
2-(2,4-difluorophenoxy)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 357.36 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 72930936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).