2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide

C17H14FN3O2 — CID 38416896

IUPAC2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H14FN3O2/c18-13-2-8-16(9-3-13)23-12-17(22)20-14-4-6-15(7-5-14)21-11-1-10-19-21/h1-11H,12H2,(H,20,22)
InChIKeyRAQZTMPLPYGBLR-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.03
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide

2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 38416896) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID38416896
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H14FN3O2/c18-13-2-8-16(9-3-13)23-12-17(22)20-14-4-6-15(7-5-14)21-11-1-10-19-21/h1-11H,12H2,(H,20,22)
InChIKeyRAQZTMPLPYGBLR-UHFFFAOYSA-N
XLogP3.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide
CID 33252679
4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907161
3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78866618
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate
CID 2219088
4-[[2-(4-fluorophenoxy)acetyl]amino]benzoate
CID 7372868
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
N-[4-(aminomethyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 16782278
N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide
CID 111116155
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30101688

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide (CID 38416896) is 2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide is O=C(COc1ccc(F)cc1)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is RAQZTMPLPYGBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-13-2-8-16(9-3-13)23-12-17(22)20-14-4-6-15(7-5-14)21-11-1-10-19-21/h1-11H,12H2,(H,20,22).
What are the key properties of 2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide?
2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 311.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 38416896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).