ChemDB: Chemical Search
Download
Chemical ID: 7277153
Chemical ID:
7277153
Name [?]:
2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)C#N)NC(=O)COc2ccc(cc2)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H15ClN2O3/c23-18-9-5-15(6-10-18)22(27)16-7-11-19(12-8-16)28-14-21(26)25-20-4-2-1-3-17(20)13-24/h1-12H,14H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,23,27,16,18,24,26,15,19,7,12,22,17,5,25,14,4,10,20,28,8,9,11,21,13/E:(5,6)(7,8)(9,10)(11,12)/rA:28nCCCCCCCNNCOCOCCCCCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15ClN2O3 |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8014 |
Area: | 632.694 |
Solvation: | -5.01594 |
Coulombic: | -42.5363 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 390.819 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.0 |
LogP (Chemaxon): | 4.43 |
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 |
---|