Chemical ID: 7269942

Cc1cc(ccc1NC(=O)COc2cccc(c2)C#N)Cl
Chemical ID:
7269942
Name [?]:
N-(4-chloro-2-methyl-phenyl)-2-(3-cyanophenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1NC(=O)COc2cccc(c2)C#N)Cl
InChi [?]:
InChI=1/C16H13ClN2O2/c1-11-7-13(17)5-6-15(11)19-16(20)10-21-14-4-2-3-12(8-14)9-18/h2-8H,10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,5,6,3,18,19,11,2,17,4,13,7,9,21,20,8,10,12/rA:21nCCCCCCCNCOCOCCCCCCCNCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;t19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClN2O2
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.58151
Area:517.823
Solvation:-4.36405
Coulombic:-31.7956
Bond Count [?]
All:22
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:300.739
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.25
LogP (Chemaxon):3.03

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue