ChemDB: Chemical Search
Download
Chemical ID: 7366540
Chemical ID:
7366540
Name [?]:
2-chloro-N-[4-[[3-(trifluoromethyl)phenyl]carbamoylmethoxy]phenyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(cc2)OCC(=O)Nc3cccc(c3)C(F)(F)F)Cl
InChi [?]:
InChI=1/C22H16ClF3N2O3/c23-19-7-2-1-6-18(19)21(30)28-15-8-10-17(11-9-15)31-13-20(29)27-16-5-3-4-14(12-16)22(24,25)26/h1-12H,13H2,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,2,23,24,22,6,3,11,15,12,14,26,17,25,10,21,13,5,4,18,7,27,31,28,29,30,20,9,19,8,16/E:(8,9)(10,11)(24,25,26)/rA:31nCCCCCCCONCCCCCCOCCONCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;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: | 47 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1583 |
Area: | 646.102 |
Solvation: | -5.99427 |
Coulombic: | -68.5575 |
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): | 5.33 |
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 |
---|