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Chemical ID: 4394369
Chemical ID:
4394369
Name [?]:
N-(2-cyanophenyl)-2-(4-ethylphenoxy)-acetamide
SMILES [?]:
CCc1ccc(cc1)OCC(=O)Nc2ccccc2C#N
InChi [?]:
InChI=1/C17H16N2O2/c1-2-13-7-9-15(10-8-13)21-12-17(20)19-16-6-4-3-5-14(16)11-18/h3-10H,2,12H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,15,4,8,5,7,20,10,3,19,6,14,11,21,13,12,9/E:(7,8)(9,10)/rA:21nCCCCCCCCOCCONCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;t20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.72215 |
Area: | 506.823 |
Solvation: | -3.94843 |
Coulombic: | -32.9763 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 280.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.73 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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