Chemical ID: 5570725

CCCOc1ccc(cc1)C(=O)Nc2cccc(c2)C#N
Chemical ID:
5570725
Name [?]:
N-(3-cyanophenyl)-4-propoxy-benzamide
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Nc2cccc(c2)C#N
InChi [?]:
InChI=1/C17H16N2O2/c1-2-10-21-16-8-6-14(7-9-16)17(20)19-15-5-3-4-13(11-15)12-18/h3-9,11H,2,10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,15,7,9,6,10,3,19,20,18,8,14,5,11,21,13,12,4/E:(6,7)(8,9)/rA:21nCCCOCCCCCCCONCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.48662
Area:511.875
Solvation:-3.31026
Coulombic:-33.3807
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:3.41
LogP (Chemaxon):3.48

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