ChemDB: Chemical Search
Download
Chemical ID: 6170792
Chemical ID:
6170792
Name [?]:
N-(4-acetylphenyl)-3,5-dichloro-4-methoxy-benzamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)c2cc(c(c(c2)Cl)OC)Cl
InChi [?]:
InChI=1/C16H13Cl2NO3/c1-9(20)10-3-5-12(6-4-10)19-16(21)11-7-13(17)15(22-2)14(18)8-11/h3-8H,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,5,9,6,8,14,18,2,4,13,7,15,17,16,11,22,19,10,3,12,20/E:(3,4)(5,6)(7,8)(13,14)(17,18)/rA:22nCCOCCCCCCNCOCCCCCCClOCCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s16;s20;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl2NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.02488 |
Area: | 530.936 |
Solvation: | -4.24852 |
Coulombic: | -36.6455 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.185 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.19 |
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 |
---|