ChemDB: Chemical Search
Download
Chemical ID: 6538383
Chemical ID:
6538383
Name [?]:
N-(3,4-dichlorophenyl)-2-(3-phenoxyphenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)OCC(=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C20H15Cl2NO3/c21-18-10-9-14(11-19(18)22)23-20(24)13-25-16-7-4-8-17(12-16)26-15-5-2-1-3-6-15/h1-12H,13H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,3,5,11,9,20,21,24,13,15,19,4,12,8,22,23,16,26,25,18,17,14,7/E:(2,3)(5,6)/rA:26nCCCCCCOCCCCCCOCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15Cl2NO3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.049 |
Area: | 602.673 |
Solvation: | -5.01783 |
Coulombic: | -37.509 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 388.243 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.4 |
LogP (Chemaxon): | 5.34 |
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 |
---|