Benzamide, molecular structure

By acylation of polymers 2 and 2 the benzoate ester polymers and the benzamide polymers were synthesized. Charging studies of these systems revealed relationships betwa both aliphatic and aromatic molecular structures and charging.The charging of the acylated polymers was found to be less positive (more negative) than the parent polymers. Silylation causes similar changes in hydroxy or amino functionalized materials, as does acylation of alcohols such as poly(vinyl alcohol) and ethyl cellulose. ... 

Nakamura R, Nagai K, Shimoi M, Ouchi A (1984) The syntheses, properties, and crystal and molecular structures of bis(benzamide)tris(0, O -diisopropyl dithiophosphato)neodymium (III), [Nd (C3H70)2PS2 3(C6H5C0NH2)2], and its isomotphous complexes of La, Ce, Pr, Sm, Eu, and Gd. Bull Chem Soc Jpn 57 2919-2924... 

Another retrospective analysis of already known H DAC inhibitors was carried out by You et al. [68]. They generated a 3D chemical-feature-based pharmacophore model and compared the ligand-based model with the structural-functional requirements for the binding of the HDAC inhibitors. Using this model, the interactions between the benzamide MS-275 and HDAC were explored. The result showed that the type and spatial location of chemical features encoded in the pharmacophore are in full agreement with the enzyme-inhibitor interaction pattern identified from molecular docking. However, also in this study no experimental validation of the modeling results was provided. 

The index for C7H7NO is 5, and a possible structure is benzamide (see Figure 1.1). Of course, other isomers (i.e., compounds with the same molecular formula) are possible, such as... 

Huang, C.-M. Leiserowitz, L. Schmidt, G.M.J. Molecular packing modes 11. Crystal structures of 2-1 complexes of benzamide with succinic acid and furamide with oxalic acid. J. Chem. Soc., Perkin Trans. 1973, 2, 503-508. 

The accepted chemical name for indapamide is 3-(aminosulfonyl)-4-chloro-N-(2,3-dihydro-2-methyl-lH-indol-l-yl)benzamide. The CAS registry number is 26807-63-8. The chemical structure is shown in Figure 1. The molecular formula is C,-H. C1N,0,S and its molecular weight is... 

In the crystal structure of 1, the amide N-H group, which is in the anti configuration to C=0, participates in an intramolecular N-H... N hydrogen bond and further links the molecules via synthon II (Figure 7.2a). The iyn-N-H group of the amide participates via synthon I to form a molecular ribbon [10a]. Apart from the intramolecular hydrogen bond the stmcture bears a close resemblance to that of benzamide. 

Fig. 1. Correlation between the inhibitory activity against poly(ADP-ribose) synthetase and coefficient Ip P/AE. The structure of benzamide for molecular orbital calculation was obtained by MM2 and MNDO optimizations. Molecular orbital calculation by a CNDO/2 program was performed on a simplification of fixing the dihedral angle between the benzene ring and the carbonyl group at 0 C.

To establish whether this idea would translate to other molecules, a new ditopic SR, 4-(pyrazol-l-yl)methyl-benzamide Scheme 4, 1), was synthesized and allowed to react with a series of carboxyUc acids." All crystal structures obtained display the same primary motif where the ditopic pyrazole/benzamide SR binds to a carboxylic acid via its amide moiety. This is in stark contrast with the interactions that have been observed between carboxylic acids and SRs composed of an amide moiety and a substantially more basic N-heterocyclic nitrogen atom than the pyra-zole moiety (e.g., pyridine or benzimidazole). This study demonstrates that it is possible to organize molecules within supramolecular aggregates by following relatively simple design principles based on solution-based p Ta values or calculated molecular electrostatic potential surfaces. 

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