ChemDB: Chemical Search
Download
Chemical ID: 5445795
Chemical ID:
5445795
Name [?]:
N-[benzamido-(3-fluorophenyl)-methyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)NC(c2cccc(c2)F)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C21H17FN2O2/c22-18-13-7-12-17(14-18)19(23-20(25)15-8-3-1-4-9-15)24-21(26)16-10-5-2-6-11-16/h1-14,19H,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,2,6,23,25,13,3,5,22,26,12,14,16,4,21,11,15,10,7,19,17,9,18,8,20/E:(1,2)(3,4,5,6)(8,9,10,11)(15,16)(20,21)(23,24)(25,26)/gE:(1,2)/rA:26nCCCCCCCONCCCCCCCFNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s10;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17FN2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0071 |
Area: | 564.247 |
Solvation: | -4.09904 |
Coulombic: | -50.5972 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 348.37 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.75 |
LogP (Chemaxon): | 3.96 |
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 |
---|