ChemDB: Chemical Search
Download
Chemical ID: 4452585
Chemical ID:
4452585
Name [?]:
N-(4-acetamidophenyl)-3,5-dichloro-4-ethoxy-benzamide
SMILES [?]:
CCOc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)NC(=O)C)Cl
InChi [?]:
InChI=1/C17H16Cl2N2O3/c1-3-24-16-14(18)8-11(9-15(16)19)17(23)21-13-6-4-12(5-7-13)20-10(2)22/h4-9H,3H2,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,2,16,18,15,19,6,8,21,7,17,14,5,9,4,11,24,10,20,13,22,12,3/E:(4,5)(6,7)(8,9)(14,15)(18,19)/rA:24nCCOCCCCCCClCONCCCCCCNCOCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16Cl2N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96383 |
Area: | 575.182 |
Solvation: | -4.41571 |
Coulombic: | -47.9666 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 367.226 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.55 |
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 |
---|