Chemical ID: 6984955

COc1ccc(cc1)OCC(=O)Nc2ccccc2C#N
Chemical ID:
6984955
Name [?]:
N-(2-cyanophenyl)-2-(4-methoxyphenoxy)-acetamide
SMILES [?]:
COc1ccc(cc1)OCC(=O)Nc2ccccc2C#N
InChi [?]:
InChI=1/C16H14N2O3/c1-20-13-6-8-14(9-7-13)21-11-16(19)18-15-5-3-2-4-12(15)10-17/h2-9H,11H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,4,8,5,7,20,10,19,3,6,14,11,21,13,12,2,9/E:(6,7)(8,9)/rA:21nCOCCCCCCOCCONCCCCCCCN/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:C16H14N2O3
All Atoms:35
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.17969
Area:498.93
Solvation:-5.29357
Coulombic:-38.8563
Bond Count [?]
All:22
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:282.294
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.74
LogP (Chemaxon):2.44

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