Chemical ID: 7265425

c1ccc(cc1)C(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3C#N
Chemical ID:
7265425
Name [?]:
2-(4-benzoylphenoxy)-N-(2-cyanophenyl)-acetamide
SMILES [?]:
c1ccc(cc1)C(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3C#N
InChi [?]:
InChI=1/C22H16N2O3/c23-14-18-8-4-5-9-20(18)24-21(25)15-27-19-12-10-17(11-13-19)22(26)16-6-2-1-3-7-16/h1-13H,15H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,22,3,5,24,21,10,14,11,13,26,16,4,9,25,12,20,17,7,27,19,18,8,15/E:(2,3)(6,7)(10,11)(12,13)/rA:27nCCCCCCCOCCCCCCOCCONCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;t26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16N2O3
All Atoms:43
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.92527
Area:594.671
Solvation:-4.94151
Coulombic:-42.6656
Bond Count [?]
All:29
Single:17
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:356.374
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.38
LogP (Chemaxon):3.91

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Descriptor Annotations

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