ChemDB: Chemical Search
Download
Chemical ID: 7505870
Chemical ID:
7505870
Name [?]:
N-(2,5-dichlorophenyl)-2-(4-sec-butylphenoxy)-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)OCC(=O)Nc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C18H19Cl2NO2/c1-3-12(2)13-4-7-15(8-5-13)23-11-18(22)21-17-10-14(19)6-9-16(17)20/h4-10,12H,3,11H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,2,6,10,19,7,9,20,17,12,3,5,18,8,21,16,13,23,22,15,14,11/E:(4,5)(7,8)/rA:23cCCCCCCCCCCOCCONCCCCCCClCl/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19Cl2NO2 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7627 |
Area: | 576.826 |
Solvation: | -3.65797 |
Coulombic: | -30.835 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 352.254 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.89 |
LogP (Chemaxon): | 4.85 |
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 |
---|