ChemDB: Chemical Search
Download
Chemical ID: 7274830
Chemical ID:
7274830
Name [?]:
2-(4-chloro-3-ethyl-phenoxy)-N-(4-morpholinophenyl)-acetamide
SMILES [?]:
CCc1cc(ccc1Cl)OCC(=O)Nc2ccc(cc2)N3CCOCC3
InChi [?]:
InChI=1/C20H23ClN2O3/c1-2-15-13-18(7-8-19(15)21)26-14-20(24)22-16-3-5-17(6-4-16)23-9-11-25-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,16,20,17,19,6,7,22,26,23,25,4,11,3,15,18,5,8,12,9,14,21,13,24,10/E:(3,4)(5,6)(9,10)(11,12)/rA:26nCCCCCCCCClOCCONCCCCCCNCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23ClN2O3 |
All Atoms: | 49 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06224 |
Area: | 598.299 |
Solvation: | -5.89523 |
Coulombic: | -42.8196 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 374.861 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.8 |
LogP (Chemaxon): | 4.18 |
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 |
---|