3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide

C20H20FN3O3 — CID 122246724

IUPAC3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
SMILESO=C(NCCOCCn1cccn1)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C20H20FN3O3/c21-17-5-7-18(8-6-17)27-19-4-1-3-16(15-19)20(25)22-10-13-26-14-12-24-11-2-9-23-24/h1-9,11,15H,10,12-14H2,(H,22,25)
InChIKeyYIIJTKLKYYYCGN-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.26
Rot. Bonds9

About 3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide

3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide (PubChem CID 122246724) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
PubChem CID122246724
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
SMILESO=C(NCCOCCn1cccn1)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C20H20FN3O3/c21-17-5-7-18(8-6-17)27-19-4-1-3-16(15-19)20(25)22-10-13-26-14-12-24-11-2-9-23-24/h1-9,11,15H,10,12-14H2,(H,22,25)
InChIKeyYIIJTKLKYYYCGN-UHFFFAOYSA-N
XLogP3.26
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246749
3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246704
4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide
CID 55766765
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide
CID 122246734
2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246707
N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide
CID 122246699
3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 122288707
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654478

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide (CID 122246724) is 3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide is O=C(NCCOCCn1cccn1)c1cccc(Oc2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide?
The InChIKey is YIIJTKLKYYYCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-17-5-7-18(8-6-17)27-19-4-1-3-16(15-19)20(25)22-10-13-26-14-12-24-11-2-9-23-24/h1-9,11,15H,10,12-14H2,(H,22,25).
What are the key properties of 3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide?
3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide has a molecular weight of 369.40 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide is sourced from PubChem (CID 122246724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).