Chemical ID: 5822465

CC(C)(C)c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl
Chemical ID:
5822465
Name [?]:
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-tert-butylphenoxy)-acetamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C19H19ClF3NO2/c1-18(2,3)12-4-7-14(8-5-12)26-11-17(25)24-13-6-9-16(20)15(10-13)19(21,22)23/h4-10H,11H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,10,17,7,9,18,21,12,5,16,8,20,19,13,2,22,26,23,24,25,15,14,11/E:(1,2,3)(4,5)(7,8)(21,22,23)/rA:26nCCCCCCCCCCOCCONCCCCCCCFFFCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19ClF3NO2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.65561
Area:574.056
Solvation:-4.69579
Coulombic:-47.4929
Bond Count [?]
All:27
Single:20
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:385.808
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.04
LogP (Chemaxon):5.9

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