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

C20H20FN3O3 — CID 24888832

IUPAC3-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide
SMILESCOCCOc1ccc(NC(=O)c2cccc(F)c2)cc1-c1ccnn1C
InChIInChI=1S/C20H20FN3O3/c1-24-18(8-9-22-24)17-13-16(6-7-19(17)27-11-10-26-2)23-20(25)14-4-3-5-15(21)12-14/h3-9,12-13H,10-11H2,1-2H3,(H,23,25)
InChIKeyPWNLMZXQMFTFFR-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.50
Rot. Bonds7

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

3-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide (PubChem CID 24888832) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide
PubChem CID24888832
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name3-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide
SMILESCOCCOc1ccc(NC(=O)c2cccc(F)c2)cc1-c1ccnn1C
InChIInChI=1S/C20H20FN3O3/c1-24-18(8-9-22-24)17-13-16(6-7-19(17)27-11-10-26-2)23-20(25)14-4-3-5-15(21)12-14/h3-9,12-13H,10-11H2,1-2H3,(H,23,25)
InChIKeyPWNLMZXQMFTFFR-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 3-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide (CID 24888832) is 3-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide is COCCOc1ccc(NC(=O)c2cccc(F)c2)cc1-c1ccnn1C.
What is the InChIKey of 3-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide?
The InChIKey is PWNLMZXQMFTFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-24-18(8-9-22-24)17-13-16(6-7-19(17)27-11-10-26-2)23-20(25)14-4-3-5-15(21)12-14/h3-9,12-13H,10-11H2,1-2H3,(H,23,25).
What are the key properties of 3-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide?
3-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 3-fluoro-N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 24888832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).