ChemDB: Chemical Search
Download
Chemical ID: 7265057
Chemical ID:
7265057
Name [?]:
2-chloro-N-[2-[(4-ethoxyphenyl)methyl-methyl-carbamoyl]ethyl]benzamide
SMILES [?]:
CCOc1ccc(cc1)CN(C)C(=O)CCNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C20H23ClN2O3/c1-3-26-16-10-8-15(9-11-16)14-23(2)19(24)12-13-22-20(25)17-6-4-5-7-18(17)21/h4-11H,3,12-14H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,12,2,22,23,21,24,6,8,5,9,15,16,10,7,4,20,25,13,18,26,17,11,14,19,3/E:(8,9)(10,11)/rA:26nCCOCCCCCCCNCCOCCNCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s11;d13;s13;s15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23ClN2O3 |
All Atoms: | 49 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6024 |
Area: | 616.171 |
Solvation: | -4.80185 |
Coulombic: | -45.8216 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.861 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.57 |
LogP (Chemaxon): | 2.68 |
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 |
---|