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Chemical ID: 6158430
Chemical ID:
6158430
Name [?]:
3-benzamido-N-(2,5-dimethylphenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2cccc(c2)NC(=O)c3ccccc3)C
InChi [?]:
InChI=1/C22H20N2O2/c1-15-11-12-16(2)20(13-15)24-22(26)18-9-6-10-19(14-18)23-21(25)17-7-4-3-5-8-17/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,26,23,22,24,13,21,25,12,14,3,4,7,16,2,5,20,11,15,6,18,9,17,8,19,10/E:(4,5)(7,8)/rA:26nCCCCCCCNCOCCCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;d21;s22;d23;d20s24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2341 |
Area: | 572.337 |
Solvation: | -3.07436 |
Coulombic: | -44.9858 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 344.406 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.63 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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