ChemDB: Chemical Search
Download
Chemical ID: 4427552
Chemical ID:
4427552
Name [?]:
N-(4-chlorophenyl)-3-phenoxy-benzamide
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H14ClNO2/c20-15-9-11-16(12-10-15)21-19(22)14-5-4-8-18(13-14)23-17-6-2-1-3-7-17/h1-13H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,11,3,5,9,19,21,18,22,13,12,20,17,4,8,14,23,16,15,7/E:(2,3)(6,7)(9,10)(11,12)/rA:23nCCCCCCOCCCCCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14ClNO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5224 |
Area: | 530.923 |
Solvation: | -2.75068 |
Coulombic: | -31.8626 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 323.773 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.1 |
LogP (Chemaxon): | 5.05 |
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 |
---|