ChemDB: Chemical Search
Download
Chemical ID: 4146243
Chemical ID:
4146243
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)COc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C18H20ClNO2/c1-12(2)14-7-9-15(10-8-14)22-11-18(21)20-17-6-4-5-16(19)13(17)3/h4-10,12H,11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:21,22,1,5,6,4,16,18,15,19,12,20,2,17,14,7,3,10,8,9,11,13/E:(1,2)(7,8)(9,10)/rA:22nCCCCCCCClNCOCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20ClNO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.63099 |
Area: | 536.365 |
Solvation: | -3.77814 |
Coulombic: | -30.1141 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.81 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.93 |
LogP (Chemaxon): | 4.4 |
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 |
---|