ChemDB: Chemical Search
Download
Chemical ID: 6154761
Chemical ID:
6154761
Name [?]:
4-(4-chloro-3-methyl-phenoxy)-N-(3-chloro-4-methyl-phenyl)-butanamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)CCCOc2ccc(c(c2)C)Cl
InChi [?]:
InChI=1/C18H19Cl2NO2/c1-12-5-6-14(11-17(12)20)21-18(22)4-3-9-23-15-7-8-16(19)13(2)10-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,13,12,3,4,17,18,14,21,6,2,20,5,16,19,7,10,23,8,9,11,15/rA:23nCCCCCCCClNCOCCCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19Cl2NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9016 |
Area: | 578.487 |
Solvation: | -3.56057 |
Coulombic: | -28.6247 |
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): | 5.28 |
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 |
---|