N-(3,4-Dimethoxybenzyl)-2-fluoro-5-nitrobenzamide - CAS 247568-67-8
Catalog: |
BB067127 |
Product Name: |
N-(3,4-Dimethoxybenzyl)-2-fluoro-5-nitrobenzamide |
CAS: |
247568-67-8 |
Synonyms: |
N-[(3,4-Dimethoxyphenyl)methyl]-2-fluoro-5-nitro-benzamide; 5-Despropanolamine-5-fluoro Xanthoanthrafil |
IUPAC Name: | N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-5-nitrobenzamide |
Description: | Used in the preparation of anthranilamides as cGMP phosphodiesterase inhibitors. |
Molecular Weight: | 334.3 |
Molecular Formula: | C16H15FN2O5 |
Canonical SMILES: | COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])F)OC |
InChI: | InChI=1S/C16H15FN2O5/c1-23-14-6-3-10(7-15(14)24-2)9-18-16(20)12-8-11(19(21)22)4-5-13(12)17/h3-8H,9H2,1-2H3,(H,18,20) |
InChI Key: | CJAKIEOOMLAGMN-UHFFFAOYSA-N |
Solubility: | Dichloromethane |
Appearance: | Yellow Solid |
Storage: | Refrigerator |
Complexity: | 445 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 334.09649975 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 334.09649975 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 93.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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