ChemDB: Chemical Search
Download
Chemical ID: 5477197
Chemical ID:
5477197
Name [?]:
N-(2,3-dimethylphenyl)-3-phenoxy-benzamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)c2cccc(c2)Oc3ccccc3
InChi [?]:
InChI=1/C21H19NO2/c1-15-8-6-13-20(16(15)2)22-21(23)17-9-7-12-19(14-17)24-18-10-4-3-5-11-18/h3-14H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,22,21,23,4,14,3,13,20,24,15,5,17,2,7,12,19,16,6,10,9,11,18/E:(4,5)(10,11)/rA:24nCCCCCCCCNCOCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.394 |
Area: | 521.547 |
Solvation: | -2.64468 |
Coulombic: | -31.7199 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 317.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.14 |
LogP (Chemaxon): | 4.82 |
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 |
---|