Chemical ID: 7252179

Cc1cccc(c1NC(=O)COc2cccc(c2)C#N)C
Chemical ID:
7252179
Name [?]:
2-(3-cyanophenoxy)-N-(2,6-dimethylphenyl)-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)COc2cccc(c2)C#N)C
InChi [?]:
InChI=1/C17H16N2O2/c1-12-5-3-6-13(2)17(12)19-16(20)11-21-15-8-4-7-14(9-15)10-18/h3-9H,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,4,15,3,5,16,14,18,19,11,2,6,17,13,9,7,20,8,10,12/E:(1,2)(5,6)(12,13)/rA:21nCCCCCCCNCOCOCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;t19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O2
All Atoms:37
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.84473
Area:499.025
Solvation:-4.63091
Coulombic:-31.2805
Bond Count [?]
All:22
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.321
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.85
LogP (Chemaxon):2.33

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