2,6-Difluoro-N-[4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-benzeneacetamide - CAS 1415834-68-2
Catalog: |
BB067825 |
Product Name: |
2,6-Difluoro-N-[4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-benzeneacetamide |
CAS: |
1415834-68-2 |
Synonyms: |
2-(2,6-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxy]pyridin-2-yl]acetamide; 2,6-Difluoro-N-[4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-benzeneacetamide |
IUPAC Name: | 2-(2,6-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxy]pyridin-2-yl]acetamide |
Description: | 2,6-Difluoro-N-[4-[(4-fluorophenyl)methoxy]-2-pyridinyl]-benzeneacetamide was used to test its effect on 5'-inositol phosphatase 2 (SHIP2) as an inhibitor. |
Molecular Weight: | 372.34 |
Molecular Formula: | C20H15F3N2O2 |
Canonical SMILES: | C1=CC(=C(C(=C1)F)CC(=O)NC2=NC=CC(=C2)OCC3=CC=C(C=C3)F)F |
InChI: | InChI=1S/C20H15F3N2O2/c21-14-6-4-13(5-7-14)12-27-15-8-9-24-19(10-15)25-20(26)11-16-17(22)2-1-3-18(16)23/h1-10H,11-12H2,(H,24,25,26) |
InChI Key: | JDMUOKWBBLYUGO-UHFFFAOYSA-N |
References: | Ichihara, Y., et. al. Eur, J. Med. Chem., 62, 649 (2013). |
Complexity: | 464 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 372.10856221 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 372.10856221 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 51.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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