ChemDB: Chemical Search
Download
Chemical ID: 6360936
Chemical ID:
6360936
Name [?]:
4-(4-chloro-2-methyl-phenoxy)-N-(3-chloro-2-methyl-phenyl)-butanamide
SMILES [?]:
Cc1cc(ccc1OCCCC(=O)Nc2cccc(c2C)Cl)Cl
InChi [?]:
InChI=1/C18H19Cl2NO2/c1-12-11-14(19)8-9-17(12)23-10-4-7-18(22)21-16-6-3-5-15(20)13(16)2/h3,5-6,8-9,11H,4,7,10H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,17,10,18,16,11,5,6,9,3,2,20,4,19,15,7,12,23,22,14,13,8/rA:23nCCCCCCCOCCCCONCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19Cl2NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9977 |
Area: | 579.411 |
Solvation: | -3.48758 |
Coulombic: | -28.7851 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.254 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.89 |
LogP (Chemaxon): | 4.63 |
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 |
---|