ChemDB: Chemical Search
Download
Chemical ID: 4203853
Chemical ID:
4203853
Name [?]:
2-(4-chloro-3-methyl-phenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILES [?]:
Cc1cc(ccc1Cl)OCC(=O)NCCc2ccc(cc2)OC
InChi [?]:
InChI=1/C18H20ClNO3/c1-13-11-16(7-8-17(13)19)23-12-18(21)20-10-9-14-3-5-15(22-2)6-4-14/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,17,21,18,20,5,6,15,14,3,10,2,16,19,4,7,11,8,13,12,22,9/E:(3,4)(5,6)/rA:23nCCCCCCCClOCCONCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20ClNO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.88949 |
Area: | 573.724 |
Solvation: | -5.4536 |
Coulombic: | -36.7461 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.809 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.48 |
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 |
---|