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Chemical ID: 5402738
Chemical ID:
5402738
Name [?]:
N-[benzamido-(3-ethoxyphenyl)-methyl]benzamide
SMILES [?]:
CCOc1cccc(c1)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H22N2O3/c1-2-28-20-15-9-14-19(16-20)21(24-22(26)17-10-5-3-6-11-17)25-23(27)18-12-7-4-8-13-18/h3-16,21H,2H2,1H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,17,26,16,18,25,27,6,15,19,24,28,7,5,9,14,23,8,4,10,12,21,11,20,13,22,3/E:(3,4)(5,6,7,8)(10,11,12,13)(17,18)(22,23)(24,25)(26,27)/gE:(1,2)/rA:28nCCOCCCCCCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s10;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1114 |
Area: | 622.839 |
Solvation: | -4.45953 |
Coulombic: | -54.161 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.432 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.93 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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