Chemical ID: 5509652

Cc1ccc(cc1)OC(C)C(=O)Nc2ccc(c(c2)C(F)(F)F)Cl
Chemical ID:
5509652
Name [?]:
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methylphenoxy)-propanamide
SMILES [?]:
Cc1ccc(cc1)OC(C)C(=O)Nc2ccc(c(c2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C17H15ClF3NO2/c1-10-3-6-13(7-4-10)24-11(2)16(23)22-12-5-8-15(18)14(9-12)17(19,20)21/h3-9,11H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,3,7,15,4,6,16,19,2,9,14,5,18,17,11,20,24,21,22,23,13,12,8/E:(3,4)(6,7)(19,20,21)/rA:24cCCCCCCCOCCCONCCCCCCCFFFCl/rB:s1;s2;d3;s4;d5;d2s6;s5;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:9.05584
Area:531.512
Solvation:-4.23196
Coulombic:-47.8662
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

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