ChemDB: Chemical Search
Download
Chemical ID: 6430513
Chemical ID:
6430513
Name [?]:
N-(4,5-dichloro-2-ethylamino-phenyl)pentanamide
SMILES [?]:
CCCCC(=O)Nc1cc(c(cc1NCC)Cl)Cl
InChi [?]:
InChI=1/C13H18Cl2N2O/c1-3-5-6-13(18)17-12-8-10(15)9(14)7-11(12)16-4-2/h7-8,16H,3-6H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,2,15,3,4,12,9,11,10,13,8,5,17,18,14,7,6/rA:18nCCCCCONCCCCCCNCCClCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s11;s10;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18Cl2N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6344 |
Area: | 501.316 |
Solvation: | -1.89848 |
Coulombic: | -32.9482 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 289.2 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.98 |
LogP (Chemaxon): | 3.75 |
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 |
---|