ChemDB: Chemical Search
Download
Chemical ID: 7329242
Chemical ID:
7329242
Name [?]:
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
c1ccc(c(c1)[N+](=O)[O-])OCC(=O)NCCc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H14Cl2N2O4/c17-12-6-5-11(13(18)9-12)7-8-19-16(21)10-24-15-4-2-1-3-14(15)20(22)23/h1-6,9H,7-8,10H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,19,16,15,21,11,17,20,22,5,4,12,24,23,14,7,13,8,9,10/E:(22,23)/CRV:20.5/rA:24nCCCCCCN+OO-OCCONCCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14Cl2N2O4 |
All Atoms: | 38 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.33649 |
Area: | 582.481 |
Solvation: | -12.2255 |
Coulombic: | -38.982 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 369.199 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.74 |
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 |
---|