ChemDB: Chemical Search
Download
Chemical ID: 4196067
Chemical ID:
4196067
Name [?]:
N-benzyl-3,5-dimethyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1ccc2c(c1)c(c(o2)C(=O)NCc3ccccc3)C
InChi [?]:
InChI=1/C18H17NO2/c1-12-8-9-16-15(10-12)13(2)17(21-16)18(20)19-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,18,17,19,16,20,3,4,7,14,2,8,15,6,5,9,11,13,12,10/E:(4,5)(6,7)/rA:21nCCCCCCCCCOCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s8;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4543 |
Area: | 492.098 |
Solvation: | -1.84815 |
Coulombic: | -33.8918 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.333 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.77 |
LogP (Chemaxon): | 4.0 |
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 |
---|