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Chemical ID: 6877882
Chemical ID:
6877882
Name [?]:
N-(4-chloro-2-methyl-phenyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylmethoxy]benzamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3C(F)(F)F)Cl
InChi [?]:
InChI=1/C23H18ClF3N2O3/c1-14-12-16(24)8-11-19(14)29-22(31)15-6-9-17(10-7-15)32-13-21(30)28-20-5-3-2-4-18(20)23(25,26)27/h2-12H,13H2,1H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,23,12,16,5,13,15,6,3,18,2,11,4,14,27,7,22,19,9,28,32,29,30,31,21,8,20,10,17/E:(6,7)(9,10)(25,26,27)/rA:32nCCCCCCCNCOCCCCCCOCCONCCCCCCCFFFCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s28;s28;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18ClF3N2O3 |
All Atoms: | 50 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4045 |
Area: | 671.278 |
Solvation: | -5.37741 |
Coulombic: | -69.4447 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 462.849 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.42 |
LogP (Chemaxon): | 5.15 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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