ChemDB: Chemical Search
Download
Chemical ID: 6839686
Chemical ID:
6839686
Name [?]:
4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylmethoxy]-N-(2-methoxyphenyl)-benzamide
SMILES [?]:
COc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C23H18ClF3N2O4/c1-32-20-5-3-2-4-18(20)29-22(31)14-6-9-16(10-7-14)33-13-21(30)28-19-12-15(23(25,26)27)8-11-17(19)24/h2-12H,13H2,1H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,13,17,26,14,16,27,24,19,12,25,15,28,8,23,3,20,10,30,29,31,32,33,22,9,21,11,2,18/E:(6,7)(9,10)(25,26,27)/rA:33nCOCCCCCCNCOCCCCCCOCCONCCCCCCClCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;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: | C23H18ClF3N2O4 |
All Atoms: | 51 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.563 |
Area: | 689.778 |
Solvation: | -6.68148 |
Coulombic: | -76.5801 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 478.848 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.11 |
LogP (Chemaxon): | 4.43 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|