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Chemical ID: 5615833
Chemical ID:
5615833
Name [?]:
3-phenoxy-N-(p-tolyl)benzamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2cccc(c2)Oc3ccccc3
InChi [?]:
InChI=1/C20H17NO2/c1-15-10-12-17(13-11-15)21-20(22)16-6-5-9-19(14-16)23-18-7-3-2-4-8-18/h2-14H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,13,12,19,23,14,3,7,4,6,16,2,11,5,18,15,9,8,10,17/E:(3,4)(7,8)(10,11)(12,13)/rA:23nCCCCCCCNCOCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99773 |
Area: | 507.131 |
Solvation: | -2.68054 |
Coulombic: | -31.7105 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 303.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.91 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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