ChemDB: Chemical Search
Download
Chemical ID: 6466767
Chemical ID:
6466767
Name [?]:
3,5-dichloro-4-ethoxy-N-(p-tolyl)benzamide
SMILES [?]:
CCOc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)C)Cl
InChi [?]:
InChI=1/C16H15Cl2NO2/c1-3-21-15-13(17)8-11(9-14(15)18)16(20)19-12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,16,18,15,19,6,8,17,7,14,5,9,4,11,21,10,13,12,3/E:(4,5)(6,7)(8,9)(13,14)(17,18)/rA:21nCCOCCCCCCClCONCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0073 |
Area: | 521.557 |
Solvation: | -3.03166 |
Coulombic: | -30.2675 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.201 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.01 |
LogP (Chemaxon): | 4.7 |
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 |
---|