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Chemical ID: 7265425
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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