3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide

C18H16FN3O2 — CID 78866618

IUPAC3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide
SMILESO=C(CCOc1ccccc1F)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H16FN3O2/c19-16-4-1-2-5-17(16)24-13-10-18(23)21-14-6-8-15(9-7-14)22-12-3-11-20-22/h1-9,11-12H,10,13H2,(H,21,23)
InChIKeyGNLVZLRPOBOJLW-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.42
Rot. Bonds6

About 3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide

3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide (PubChem CID 78866618) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide
PubChem CID78866618
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide
SMILESO=C(CCOc1ccccc1F)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H16FN3O2/c19-16-4-1-2-5-17(16)24-13-10-18(23)21-14-6-8-15(9-7-14)22-12-3-11-20-22/h1-9,11-12H,10,13H2,(H,21,23)
InChIKeyGNLVZLRPOBOJLW-UHFFFAOYSA-N
XLogP3.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide
CID 26913928
4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907161
2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 38416896
7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide
CID 43704126
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551
4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide
CID 60549875
2-[4-[4-(2-fluorophenoxy)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697596
N-(2,4-difluorophenyl)-3-(2-fluorophenoxy)propanamide
CID 51158552
N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 110745069
4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120587813

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide?
The IUPAC name of 3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide (CID 78866618) is 3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide?
The canonical SMILES for 3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide is O=C(CCOc1ccccc1F)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide?
The InChIKey is GNLVZLRPOBOJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-16-4-1-2-5-17(16)24-13-10-18(23)21-14-6-8-15(9-7-14)22-12-3-11-20-22/h1-9,11-12H,10,13H2,(H,21,23).
What are the key properties of 3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide?
3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide has a molecular weight of 325.34 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide is sourced from PubChem (CID 78866618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).