Chemical ID: 5500116

Cc1ccccc1NC(=O)c2cccc(c2)Oc3ccccc3
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

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Descriptor Annotations

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