ChemDB: Chemical Search
Download
Chemical ID: 6640252
Chemical ID:
6640252
Name [?]:
N-(2-benzoyl-5-methyl-phenyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2cc(ccc2C(=O)c3ccccc3)C
InChi [?]:
InChI=1/C22H19NO2/c1-15-8-11-18(12-9-15)22(25)23-20-14-16(2)10-13-19(20)21(24)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,22,21,23,20,24,3,7,14,4,6,15,12,2,13,19,5,16,11,17,8,10,18,9/E:(4,5)(6,7)(8,9)(11,12)/rA:25nCCCCCCCCONCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3021 |
Area: | 545.86 |
Solvation: | -2.34439 |
Coulombic: | -34.0654 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.85 |
LogP (Chemaxon): | 5.91 |
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 |
---|