Chemical ID: 6553760

c1ccc(cc1)Oc2ccc(cc2)OCC(=O)Nc3ccccc3C(F)(F)F
Chemical ID:
6553760
Name [?]:
2-(4-phenoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)OCC(=O)Nc3ccccc3C(F)(F)F
InChi [?]:
InChI=1/C21H16F3NO3/c22-21(23,24)18-8-4-5-9-19(18)25-20(26)14-27-15-10-12-17(13-11-15)28-16-6-2-1-3-7-16/h1-13H,14H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,21,3,5,23,20,10,12,9,13,15,11,4,8,24,19,16,25,26,27,28,18,17,14,7/E:(2,3)(6,7)(10,11)(12,13)(22,23,24)/rA:28nCCCCCCOCCCCCCOCCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16F3NO3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.29936
Area:577.9
Solvation:-5.14814
Coulombic:-56.1501
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:387.352
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.08
LogP (Chemaxon):5.19

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