ChemDB: Chemical Search
Download
Chemical ID: 7430276
Chemical ID:
7430276
Name [?]:
N-(3,5-dichlorophenyl)-2-(2-ethoxy-4-formyl-phenoxy)-acetamide
SMILES [?]:
CCOc1cc(ccc1OCC(=O)Nc2cc(cc(c2)Cl)Cl)C=O
InChi [?]:
InChI=1/C17H15Cl2NO4/c1-2-23-16-5-11(9-21)3-4-15(16)24-10-17(22)20-14-7-12(18)6-13(19)8-14/h3-9H,2,10H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,7,8,5,18,16,20,23,11,6,17,19,15,9,4,12,22,21,14,24,13,3,10/E:(7,8)(12,13)(18,19)/rA:24nCCOCCCCCCOCCONCCCCCCClClCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s17;s6;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15Cl2NO4 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.16021 |
Area: | 593.106 |
Solvation: | -7.66743 |
Coulombic: | -41.0474 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.211 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.68 |
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 |
---|