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Chemical ID: 6884294
Chemical ID:
6884294
Name [?]:
4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylmethoxy]-N-(2,4-dimethylphenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C24H20ClF3N2O3/c1-14-3-10-20(15(2)11-14)30-23(32)16-4-7-18(8-5-16)33-13-22(31)29-21-12-17(24(26,27)28)6-9-19(21)25/h3-12H,13H2,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,8,3,13,17,26,14,16,27,4,7,24,19,2,6,12,25,15,28,5,23,20,10,30,29,31,32,33,22,9,21,11,18/E:(4,5)(7,8)(26,27,28)/rA:33nCCCCCCCCNCOCCCCCCOCCONCCCCCCClCFFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s25;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20ClF3N2O3 |
All Atoms: | 53 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6791 |
Area: | 696.095 |
Solvation: | -5.72327 |
Coulombic: | -68.8215 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 476.875 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.86 |
LogP (Chemaxon): | 4.97 |
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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