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Chemical ID: 4398367
Chemical ID:
4398367
Name [?]:
N-(2-cyanophenyl)-2-(3,4-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)Nc2ccccc2C#N
InChi [?]:
InChI=1/C17H16N2O2/c1-12-7-8-15(9-13(12)2)21-11-17(20)19-16-6-4-3-5-14(16)10-18/h3-9H,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,17,16,18,15,3,4,6,20,10,2,7,19,5,14,11,21,13,12,9/rA:21nCCCCCCCCOCCONCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;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: | 8.58265 |
Area: | 501.904 |
Solvation: | -3.96495 |
Coulombic: | -32.4195 |
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: | 3.7 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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