ChemDB: Chemical Search
Download
Chemical ID: 5211155
Chemical ID:
5211155
Name [?]:
2-(4-chlorophenoxy)-N-(ethylcarbamoyl)-2-methyl-propanamide
SMILES [?]:
CCNC(=O)NC(=O)C(C)(C)Oc1ccc(cc1)Cl
InChi [?]:
InChI=1/C13H17ClN2O3/c1-4-15-12(18)16-11(17)13(2,3)19-10-7-5-9(14)6-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,10,11,2,15,17,14,18,16,13,7,4,9,19,3,6,8,5,12/E:(2,3)(5,6)(7,8)/rA:19nCCNCONCOCCCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;s9;s9;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17ClN2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.89424 |
Area: | 478.44 |
Solvation: | -5.06676 |
Coulombic: | -50.3875 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 284.738 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.88 |
LogP (Chemaxon): | 2.04 |
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 |
---|