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Chemical ID: 7252179
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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