ChemDB: Chemical Search
Download
Chemical ID: 5500734
Chemical ID:
5500734
Name [?]:
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)-propanamide
SMILES [?]:
Cc1cccc(c1)OC(C)C(=O)Nc2ccc(c(c2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C17H15ClF3NO2/c1-10-4-3-5-13(8-10)24-11(2)16(23)22-12-6-7-15(18)14(9-12)17(19,20)21/h3-9,11H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,4,3,5,15,16,7,19,2,9,14,6,18,17,11,20,24,21,22,23,13,12,8/E:(19,20,21)/rA:24cCCCCCCCOCCCONCCCCCCCFFFCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15ClF3NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.09015 |
Area: | 532.247 |
Solvation: | -4.21601 |
Coulombic: | -47.9075 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.754 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.18 |
LogP (Chemaxon): | 5.28 |
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 |
---|