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Chemical ID: 5500116
Chemical ID:
5500116
Name [?]:
N-(o-tolyl)-3-phenoxy-benzamide
SMILES [?]:
Cc1ccccc1NC(=O)c2cccc(c2)Oc3ccccc3
InChi [?]:
InChI=1/C20H17NO2/c1-15-8-5-6-13-19(15)21-20(22)16-9-7-12-18(14-16)23-17-10-3-2-4-11-17/h2-14H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,4,5,13,3,12,19,23,14,6,16,2,11,18,15,7,9,8,10,17/E:(3,4)(10,11)/rA:23nCCCCCCCNCOCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;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: | 9.9879 |
Area: | 503.775 |
Solvation: | -2.60648 |
Coulombic: | -31.9507 |
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: | 4.7 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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