ChemDB: Chemical Search
Download
Chemical ID: 4359122
Chemical ID:
4359122
Name [?]:
3,5-dichloro-N-(3-chloro-2-methyl-phenyl)-4-methoxy-benzamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)c2cc(c(c(c2)Cl)OC)Cl
InChi [?]:
InChI=1/C15H12Cl3NO2/c1-8-10(16)4-3-5-13(8)19-15(20)9-6-11(17)14(21-2)12(18)7-9/h3-7H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,5,6,4,13,17,2,12,7,14,16,3,15,10,8,21,18,9,11,19/E:(6,7)(11,12)(17,18)/rA:21nCCCCCCCClNCOCCCCCCClOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s15;s19;s14;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12Cl3NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0046 |
Area: | 519.652 |
Solvation: | -2.98666 |
Coulombic: | -30.4532 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 344.619 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.0 |
LogP (Chemaxon): | 4.22 |
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 |
---|