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Chemical ID: 5504327
Chemical ID:
5504327
Name [?]:
N-(4-ethylphenyl)-3-(4-hydroxyphenyl)-benzamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)c2cccc(c2)c3ccc(cc3)O
InChi [?]:
InChI=1/C21H19NO2/c1-2-15-6-10-19(11-7-15)22-21(24)18-5-3-4-17(14-18)16-8-12-20(23)13-9-16/h3-14,23H,2H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,13,4,8,19,23,5,7,20,22,17,3,18,16,12,6,21,10,9,24,11/E:(6,7)(8,9)(10,11)(12,13)/rA:24nCCCCCCCCNCOCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7101 |
Area: | 547.549 |
Solvation: | -2.97861 |
Coulombic: | -40.4671 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.381 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.43 |
LogP (Chemaxon): | 5.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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