ChemDB: Chemical Search
Download
Chemical ID: 6942942
Chemical ID:
6942942
Name [?]:
N-(2-benzoyl-4-chloro-phenyl)-2-(2,3-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1C)OCC(=O)Nc2ccc(cc2C(=O)c3ccccc3)Cl
InChi [?]:
InChI=1/C23H20ClNO3/c1-15-7-6-10-21(16(15)2)28-14-22(26)25-20-12-11-18(24)13-19(20)23(27)17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,8,25,24,26,4,3,23,27,5,16,15,18,10,2,7,22,17,19,14,6,11,20,28,13,12,21,9/E:(4,5)(8,9)/rA:28nCCCCCCCCOCCONCCCCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20ClNO3 |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1488 |
Area: | 623.737 |
Solvation: | -4.44462 |
Coulombic: | -39.5432 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 393.863 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.94 |
LogP (Chemaxon): | 6.2 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|