Chemical ID: 5822004

Cc1cc(cc(c1)OCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)C
Chemical ID:
5822004
Name [?]:
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)C
InChi [?]:
InChI=1/C17H15ClF3NO2/c1-10-5-11(2)7-13(6-10)24-9-16(23)22-12-3-4-15(18)14(8-12)17(19,20)21/h3-8H,9H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,14,15,3,7,5,18,9,2,4,13,6,17,16,10,19,23,20,21,22,12,11,8/E:(1,2)(6,7)(10,11)(19,20,21)/rA:24nCCCCCCCOCCONCCCCCCCFFFClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15ClF3NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.69943
Area:536.144
Solvation:-4.70416
Coulombic:-46.4655
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:5.1
LogP (Chemaxon):5.21

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue