ChemDB: Chemical Search
Download
Chemical ID: 5910996
Chemical ID:
5910996
Name [?]:
3,4-dichloro-N-(2-furylmethyl)-N-phenethyl-benzamide
SMILES [?]:
c1ccc(cc1)CCN(Cc2ccco2)C(=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C20H17Cl2NO2/c21-18-9-8-16(13-19(18)22)20(24)23(14-17-7-4-12-25-17)11-10-15-5-2-1-3-6-15/h1-9,12-13H,10-11,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,3,5,12,19,20,7,8,14,23,10,4,18,11,21,22,16,25,24,9,17,15/E:(2,3)(5,6)/rA:25nCCCCCCCCNCCCCCOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;s11s14;s9;d16;s16;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17Cl2NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4139 |
Area: | 573.181 |
Solvation: | -2.91565 |
Coulombic: | -27.5401 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 374.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.09 |
LogP (Chemaxon): | 4.98 |
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 |
---|