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Chemical ID: 7281189
Chemical ID:
7281189
Name [?]:
2-(3-cyanophenoxy)-N-(4-phenoxyphenyl)-acetamide
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)NC(=O)COc3cccc(c3)C#N
InChi [?]:
InChI=1/C21H16N2O3/c22-14-16-5-4-8-20(13-16)25-15-21(24)23-17-9-11-19(12-10-17)26-18-6-2-1-3-7-18/h1-13H,15H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,22,3,5,20,10,12,9,13,24,25,17,23,11,4,8,19,15,26,14,16,18,7/E:(2,3)(6,7)(9,10)(11,12)/rA:26nCCCCCCOCCCCCCNCOCOCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s23;t25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16N2O3 |
All Atoms: | 42 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.04313 |
Area: | 580.377 |
Solvation: | -5.4663 |
Coulombic: | -39.8055 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 344.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.88 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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