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Chemical ID: 7320065
Chemical ID:
7320065
Name [?]:
N-benzyl-2-(3-cyanophenoxy)-N-methyl-acetamide
SMILES [?]:
CN(Cc1ccccc1)C(=O)COc2cccc(c2)C#N
InChi [?]:
InChI=1/C17H16N2O2/c1-19(12-14-6-3-2-4-7-14)17(20)13-21-16-9-5-8-15(10-16)11-18/h2-10H,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,16,5,9,17,15,19,20,3,12,4,18,14,10,21,2,11,13/E:(3,4)(6,7)/rA:21nCNCCCCCCCCOCOCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;t20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O2 |
All Atoms: | 37 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.12259 |
Area: | 505.302 |
Solvation: | -4.50997 |
Coulombic: | -28.4822 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 280.321 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.68 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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