ChemDB: Chemical Search
Download
Chemical ID: 5312933
Chemical ID:
5312933
Name [?]:
N-(5-chloro-2-morpholino-phenyl)-4-ethyl-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)Nc2cc(ccc2N3CCOCC3)Cl
InChi [?]:
InChI=1/C19H21ClN2O2/c1-2-14-3-5-15(6-4-14)19(23)21-17-13-16(20)7-8-18(17)22-9-11-24-12-10-22/h3-8,13H,2,9-12H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,15,16,19,23,20,22,13,3,6,14,12,17,9,24,11,18,10,21/E:(3,4)(5,6)(9,10)(11,12)/rA:24nCCCCCCCCCONCCCCCCNCCOCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;s21;s18s22;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21ClN2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6955 |
Area: | 557.272 |
Solvation: | -3.23629 |
Coulombic: | -38.4056 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 344.835 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.32 |
LogP (Chemaxon): | 4.41 |
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 |
---|