ChemDB: Chemical Search
Download
Chemical ID: 6876168
Chemical ID:
6876168
Name [?]:
N-(3-chloro-2-methyl-phenyl)-4-[(2,5-dimethylphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3C)Cl)C
InChi [?]:
InChI=1/C24H23ClN2O3/c1-15-7-8-16(2)22(13-15)26-23(28)14-30-19-11-9-18(10-12-19)24(29)27-21-6-4-5-20(25)17(21)3/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,30,28,24,25,23,3,4,15,17,14,18,7,11,2,5,27,16,13,26,22,6,9,19,29,8,21,10,20,12/E:(9,10)(11,12)/rA:30nCCCCCCCNCOCOCCCCCCCONCCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23ClN2O3 |
All Atoms: | 53 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6327 |
Area: | 667.146 |
Solvation: | -5.04596 |
Coulombic: | -50.6664 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 422.904 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.16 |
LogP (Chemaxon): | 4.55 |
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 |
---|