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Chemical ID: 5497765
Chemical ID:
5497765
Name [?]:
N-(2,5-dimethylphenyl)-3-phenoxy-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2cccc(c2)Oc3ccccc3)C
InChi [?]:
InChI=1/C21H19NO2/c1-15-11-12-16(2)20(13-15)22-21(23)17-7-6-10-19(14-17)24-18-8-4-3-5-9-18/h3-14H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,21,20,22,13,12,19,23,14,3,4,7,16,2,5,11,18,15,6,9,8,10,17/E:(4,5)(8,9)/rA:24nCCCCCCCNCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s18;d19;s20;d21;d18s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4749 |
Area: | 523.99 |
Solvation: | -2.62483 |
Coulombic: | -31.7152 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 317.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.14 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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