ChemDB: Chemical Search
Download
Chemical ID: 7516039
Chemical ID:
7516039
Name [?]:
3,5-dichloro-N-(4-ethoxy-2-nitro-phenyl)-4-methoxy-benzamide
SMILES [?]:
CCOc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2cc(c(c(c2)Cl)OC)Cl
InChi [?]:
InChI=1/C16H14Cl2N2O5/c1-3-25-10-4-5-13(14(8-10)20(22)23)19-16(21)9-6-11(17)15(24-2)12(18)7-9/h4-8H,3H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,24,2,5,6,17,21,9,16,4,18,20,7,8,19,14,25,22,13,10,15,11,12,23,3/E:(6,7)(11,12)(17,18)(22,23)/CRV:20.5/rA:25nCCOCCCCCCN+OO-NCOCCCCCCClOCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;s7;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s19;s23;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14Cl2N2O5 |
All Atoms: | 39 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.43509 |
Area: | 574.375 |
Solvation: | -7.92427 |
Coulombic: | -49.6181 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.9 |
LogP (Chemaxon): | None |
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 |
---|