ChemDB: Chemical Search
Download
Chemical ID: 5726844
Chemical ID:
5726844
Name [?]:
N-[(3-chlorophenyl)methyl]-2-(6-methylbenzofuran-3-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)occ2CC(=O)NCc3cccc(c3)Cl
InChi [?]:
InChI=1/C18H16ClNO2/c1-12-5-6-16-14(11-22-17(16)7-12)9-18(21)20-10-13-3-2-4-15(19)8-13/h2-8,11H,9-10H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,3,4,7,21,11,15,9,2,16,10,20,5,6,12,22,14,13,8/rA:22nCCCCCCCOCCCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClNO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.83135 |
Area: | 530.161 |
Solvation: | -3.42268 |
Coulombic: | -29.1277 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 313.778 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.97 |
LogP (Chemaxon): | 4.4 |
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 |
---|