ChemDB: Chemical Search
Download
Chemical ID: 3639463
Chemical ID:
3639463
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(2-furylmethylamino)acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)CNCc2ccco2
InChi [?]:
InChI=1/C14H15ClN2O2/c1-10-4-5-11(7-13(10)15)17-14(18)9-16-8-12-3-2-6-19-12/h2-7,16H,8-9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,16,3,4,18,6,14,12,2,5,15,7,10,8,13,9,11,19/rA:19nCCCCCCCClNCOCNCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15ClN2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.277 |
Area: | 487.315 |
Solvation: | -3.90588 |
Coulombic: | -35.6662 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 278.734 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.82 |
LogP (Chemaxon): | 2.59 |
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 |
---|