ChemDB: Chemical Search
Download
Chemical ID: 7485641
Chemical ID:
7485641
Name [?]:
2-chloro-N-(4-hexoxyphenyl)-benzamide
SMILES [?]:
CCCCCCOc1ccc(cc1)NC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C19H22ClNO2/c1-2-3-4-7-14-23-16-12-10-15(11-13-16)21-19(22)17-8-5-6-9-18(17)20/h5-6,8-13H,2-4,7,14H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,19,20,5,18,21,10,12,9,13,6,11,8,17,22,15,23,14,16,7/E:(10,11)(12,13)/rA:23nCCCCCCOCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClNO2 |
All Atoms: | 45 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0231 |
Area: | 572.097 |
Solvation: | -3.27935 |
Coulombic: | -31.2192 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 331.836 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.02 |
LogP (Chemaxon): | 5.37 |
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 |
---|