ChemDB: Chemical Search
Download
Chemical ID: 7259116
Chemical ID:
7259116
Name [?]:
N-benzhydryl-2-(3-cyanophenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)NC(=O)COc3cccc(c3)C#N
InChi [?]:
InChI=1/C22H18N2O2/c23-15-17-8-7-13-20(14-17)26-16-21(25)24-22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,22H,16H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,21,22,3,5,9,13,20,24,25,17,23,4,8,19,15,7,26,14,16,18/E:(1,2)(3,4,5,6)(9,10,11,12)(18,19)/rA:26nCCCCCCCCCCCCCNCOCOCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s23;t25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2O2 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.80896 |
Area: | 589.812 |
Solvation: | -4.93634 |
Coulombic: | -34.9673 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 342.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.12 |
LogP (Chemaxon): | 4.16 |
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 |
---|