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Chemical ID: 4491079
Chemical ID:
4491079
Name [?]:
N-(4-fluorophenyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylmethoxy]benzamide
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C22H16F4N2O3/c23-15-7-9-16(10-8-15)27-21(30)14-5-11-17(12-6-14)31-13-20(29)28-19-4-2-1-3-18(19)22(24,25)26/h1-12H,13H2,(H,27,30)(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,20,27,29,26,30,17,21,14,19,28,25,16,5,4,12,22,7,31,8,9,10,24,11,13,23,15/E:(5,6)(7,8)(9,10)(11,12)(24,25,26)/rA:31nCCCCCCCFFFNCOCOCCCCCCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16F4N2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.41238 |
Area: | 626.715 |
Solvation: | -6.25549 |
Coulombic: | -72.3295 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 432.368 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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