2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide

C18H12F5N3O2 — CID 39188751

IUPAC2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(F)cc1F)Nc1ccc(-n2cccn2)cc1C(F)(F)F
InChIInChI=1S/C18H12F5N3O2/c19-11-2-5-16(14(20)8-11)28-10-17(27)25-15-4-3-12(26-7-1-6-24-26)9-13(15)18(21,22)23/h1-9H,10H2,(H,25,27)
InChIKeyHDRWVDXEKUIVDQ-UHFFFAOYSA-N
MW397.30 g/mol
LogP4.19
Rot. Bonds5

About 2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide

2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 39188751) has the molecular formula C18H12F5N3O2 and a molecular weight of 397.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
PubChem CID39188751
Molecular FormulaC18H12F5N3O2
Molecular Weight397.30 g/mol
Exact Mass397.08
IUPAC Name2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(F)cc1F)Nc1ccc(-n2cccn2)cc1C(F)(F)F
InChIInChI=1S/C18H12F5N3O2/c19-11-2-5-16(14(20)8-11)28-10-17(27)25-15-4-3-12(26-7-1-6-24-26)9-13(15)18(21,22)23/h1-9H,10H2,(H,25,27)
InChIKeyHDRWVDXEKUIVDQ-UHFFFAOYSA-N
XLogP4.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
CID 39189076
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide
CID 55610863
3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide
CID 39188940
N-(2,5-difluorophenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39088986
2-(2,4-difluorophenoxy)-N-(2-hydroxyphenyl)acetamide
CID 31984086
2-methyl-N-[3-oxo-3-[4-pyrazol-1-yl-2-(trifluoromethyl)anilino]propyl]benzamide
CID 55610762
2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide
CID 60967966
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 38416896
N-(2-chlorophenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31854987
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
2-(2-fluorophenoxy)-N-(4-pyrazol-1-yl-3-pyridinyl)acetamide
CID 56786561

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide (CID 39188751) is 2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide is O=C(COc1ccc(F)cc1F)Nc1ccc(-n2cccn2)cc1C(F)(F)F.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HDRWVDXEKUIVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O2/c19-11-2-5-16(14(20)8-11)28-10-17(27)25-15-4-3-12(26-7-1-6-24-26)9-13(15)18(21,22)23/h1-9H,10H2,(H,25,27).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide?
2-(2,4-difluorophenoxy)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 397.30 g/mol, XLogP of 4.19, 5 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-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 39188751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).