ChemDB: Chemical Search
Download
Chemical ID: 4159981
Chemical ID:
4159981
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-2-(3-ethylphenoxy)-acetamide
SMILES [?]:
CCc1cccc(c1)OCC(=O)Nc2ccc(c(c2)Cl)OC
InChi [?]:
InChI=1/C17H18ClNO3/c1-3-12-5-4-6-14(9-12)22-11-17(20)19-13-7-8-16(21-2)15(18)10-13/h4-10H,3,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,5,4,6,15,16,8,19,10,3,14,7,18,17,11,20,13,12,21,9/rA:22nCCCCCCCCOCCONCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97714 |
Area: | 538.635 |
Solvation: | -5.48874 |
Coulombic: | -35.8903 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 319.782 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.11 |
LogP (Chemaxon): | 4.0 |
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 |
---|