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Chemical ID: 6158450
Chemical ID:
6158450
Name [?]:
3-benzamido-N-(4-ethylphenyl)-benzamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)c2cccc(c2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C22H20N2O2/c1-2-16-11-13-19(14-12-16)23-22(26)18-9-6-10-20(15-18)24-21(25)17-7-4-3-5-8-17/h3-15H,2H2,1H3,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,25,14,22,26,13,15,4,8,5,7,17,3,21,12,6,16,19,10,9,18,20,11/E:(4,5)(7,8)(11,12)(13,14)/rA:26nCCCCCCCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4 |
Area: | 580.734 |
Solvation: | -3.11832 |
Coulombic: | -45.3377 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 344.406 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.86 |
LogP (Chemaxon): | 5.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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