2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C21H20FN3O3 — CID 46685975

IUPAC2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H20FN3O3/c1-14(2)25-19(11-12-23-25)24-20(26)13-28-18-9-5-16(6-10-18)21(27)15-3-7-17(22)8-4-15/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyMQSSQJJVEIUQHV-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.85
Rot. Bonds7

About 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 46685975) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID46685975
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H20FN3O3/c1-14(2)25-19(11-12-23-25)24-20(26)13-28-18-9-5-16(6-10-18)21(27)15-3-7-17(22)8-4-15/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyMQSSQJJVEIUQHV-UHFFFAOYSA-N
XLogP3.85
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097263
2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 134026082
2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30187265
2-(3,4-dichlorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063528
2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063488
2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772434
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30181893
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 43843335
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3,4-difluorobenzoate
CID 18194519
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7795155
N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 30181870
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-fluoro-4-methylbenzoate
CID 18092403

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 46685975) is 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is MQSSQJJVEIUQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-14(2)25-19(11-12-23-25)24-20(26)13-28-18-9-5-16(6-10-18)21(27)15-3-7-17(22)8-4-15/h3-12,14H,13H2,1-2H3,(H,24,26).
What are the key properties of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 381.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 46685975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).