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Chemical ID: 4158926
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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