Chemical ID: 4158926

c1ccc(c(c1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3)C(F)(F)F)Cl
Chemical ID:
4158926
Name [?]:
N-(2-chlorophenyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylmethoxy]benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3)C(F)(F)F)Cl
InChi [?]:
InChI=1/C22H16ClF3N2O3/c23-18-6-1-2-7-19(18)28-21(30)14-8-10-17(11-9-14)31-13-20(29)27-16-5-3-4-15(12-16)22(24,25)26/h1-12H,13H2,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:2,1,23,24,22,3,6,11,15,12,14,26,17,10,25,21,13,4,5,18,8,27,31,28,29,30,20,7,19,9,16/E:(8,9)(10,11)(24,25,26)/rA:31nCCCCCCNCOCCCCCCOCCONCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16ClF3N2O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.6629
Area:651.415
Solvation:-5.6225
Coulombic:-69.586
Bond Count [?]
All:33
Single:22
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:448.822
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.19
LogP (Chemaxon):4.68

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