4-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide

C20H20FN3O3 — CID 24888669

IUPAC4-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide
SMILESCOCCOc1ccc(NC(=O)c2ccc(F)cc2)cc1-c1ccnn1C
InChIInChI=1S/C20H20FN3O3/c1-24-18(9-10-22-24)17-13-16(7-8-19(17)27-12-11-26-2)23-20(25)14-3-5-15(21)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,23,25)
InChIKeyFGWALMZYSDEJHI-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.50
Rot. Bonds7

About 4-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide

4-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide (PubChem CID 24888669) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide
PubChem CID24888669
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name4-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide
SMILESCOCCOc1ccc(NC(=O)c2ccc(F)cc2)cc1-c1ccnn1C
InChIInChI=1S/C20H20FN3O3/c1-24-18(9-10-22-24)17-13-16(7-8-19(17)27-12-11-26-2)23-20(25)14-3-5-15(21)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,23,25)
InChIKeyFGWALMZYSDEJHI-UHFFFAOYSA-N
XLogP3.50
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide (CID 24888669) is 4-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide is COCCOc1ccc(NC(=O)c2ccc(F)cc2)cc1-c1ccnn1C.
What is the InChIKey of 4-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide?
The InChIKey is FGWALMZYSDEJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-24-18(9-10-22-24)17-13-16(7-8-19(17)27-12-11-26-2)23-20(25)14-3-5-15(21)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,23,25).
What are the key properties of 4-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide?
4-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide has a molecular weight of 369.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 24888669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).