ChemDB: Chemical Search
Download
Chemical ID: 4458936
Chemical ID:
4458936
Name [?]:
N-(2-furylmethyl)-N-(4-hydroxyphenyl)-benzamide
SMILES [?]:
c1ccc(cc1)C(=O)N(Cc2ccco2)c3ccc(cc3)O
InChi [?]:
InChI=1/C18H15NO3/c20-16-10-8-15(9-11-16)19(13-17-7-4-12-22-17)18(21)14-5-2-1-3-6-14/h1-12,20H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,3,5,12,17,21,18,20,14,10,4,16,19,11,7,9,22,8,15/E:(2,3)(5,6)(8,9)(10,11)/rA:22nCCCCCCCONCCCCCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;s11s14;s9;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.0276 |
Area: | 465.702 |
Solvation: | -3.61494 |
Coulombic: | -41.703 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 293.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.14 |
LogP (Chemaxon): | 3.31 |
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 |
---|