ChemDB: Chemical Search
Download
Chemical ID: 4283375
Chemical ID:
4283375
Name [?]:
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccccc1OCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C16H13ClF3NO2/c1-10-4-2-3-5-14(10)23-9-15(22)21-11-6-7-13(17)12(8-11)16(18,19)20/h2-8H,9H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,14,15,18,9,2,13,17,16,7,10,19,23,20,21,22,12,11,8/E:(18,19,20)/rA:23nCCCCCCCOCCONCCCCCCCFFFCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClF3NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.11711 |
Area: | 510.632 |
Solvation: | -4.64869 |
Coulombic: | -46.7841 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 343.728 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.45 |
LogP (Chemaxon): | 4.74 |
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 |
---|