ChemDB: Chemical Search
Download
Chemical ID: 4143334
Chemical ID:
4143334
Name [?]:
N-(2-chlorophenyl)-2-(2-tert-butylphenoxy)-acetamide
SMILES [?]:
CC(C)(C)c1ccccc1OCC(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C18H20ClNO2/c1-18(2,3)13-8-4-7-11-16(13)22-12-17(21)20-15-10-6-5-9-14(15)19/h4-11H,12H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,19,18,8,6,20,17,9,12,5,21,16,10,13,2,22,15,14,11/E:(1,2,3)/rA:22nCCCCCCCCCCOCCONCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20ClNO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58103 |
Area: | 517.464 |
Solvation: | -3.35558 |
Coulombic: | -31.1519 |
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: | 4.9 |
LogP (Chemaxon): | 4.37 |
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 |
---|