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Chemical ID: 5057482
Chemical ID:
5057482
Name [?]:
N-(3-benzamido-4-chloro-phenyl)-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2ccc(c(c2)NC(=O)c3ccccc3)Cl
InChi [?]:
InChI=1/C21H17ClN2O2/c1-14-7-5-6-10-17(14)21(26)23-16-11-12-18(22)19(13-16)24-20(25)15-8-3-2-4-9-15/h2-13H,1H3,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,4,5,3,21,25,6,12,13,16,2,20,11,7,14,15,18,8,26,10,17,19,9/E:(3,4)(8,9)/rA:26nCCCCCCCCONCCCCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;d21;s22;d23;d20s24;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17ClN2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0807 |
Area: | 577.604 |
Solvation: | -2.3594 |
Coulombic: | -46.3097 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 364.825 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.02 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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