ChemDB: Chemical Search
Download
Chemical ID: 6990173
Chemical ID:
6990173
Name [?]:
N-(2-fluoro-5-nitro-phenyl)-2-(4-phenylphenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)OCC(=O)Nc3cc(ccc3F)[N+](=O)[O-]
InChi [?]:
InChI=1/C20H15FN2O4/c21-18-11-8-16(23(25)26)12-19(18)22-20(24)13-27-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-12H,13H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,12,21,9,11,22,19,14,4,7,20,10,23,18,15,24,17,25,16,26,27,13/E:(2,3)(4,5)(6,7)(9,10)(25,26)/CRV:23.5/rA:27nCCCCCCCCCCCCOCCONCCCCCCFN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s20;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15FN2O4 |
All Atoms: | 42 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.40255 |
Area: | 581.037 |
Solvation: | -10.1234 |
Coulombic: | -44.0521 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.343 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.54 |
LogP (Chemaxon): | 4.0 |
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 |
---|