ChemDB: Chemical Search
Download
Chemical ID: 4213569
Chemical ID:
4213569
Name [?]:
N-(2-fluoro-5-nitro-phenyl)-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)OCC(=O)Nc2cc(ccc2F)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H17FN2O4/c1-11(2)12-3-6-14(7-4-12)24-10-17(21)19-16-9-13(20(22)23)5-8-15(16)18/h3-9,11H,10H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,5,9,18,6,8,19,16,11,2,4,17,7,20,15,12,21,14,22,13,23,24,10/E:(1,2)(3,4)(6,7)(22,23)/CRV:20.5/rA:24nCCCCCCCCCOCCONCCCCCCFN+OO-/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s17;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17FN2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.81191 |
Area: | 541.631 |
Solvation: | -9.72887 |
Coulombic: | -43.1265 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 332.326 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.51 |
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 |
---|