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Chemical ID: 5623399
Chemical ID:
5623399
Name [?]:
N-(2-benzoyl-4-chloro-phenyl)-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2ccc(cc2C(=O)c3ccccc3)Cl
InChi [?]:
InChI=1/C22H18ClNO3/c1-15-6-5-9-18(12-15)27-14-21(25)24-20-11-10-17(23)13-19(20)22(26)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,4,3,22,26,5,15,14,7,17,9,2,21,16,6,18,13,10,19,27,12,11,20,8/E:(3,4)(7,8)/rA:27nCCCCCCCOCCONCCCCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18ClNO3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7219 |
Area: | 608.225 |
Solvation: | -4.48371 |
Coulombic: | -39.6174 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 379.836 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.72 |
LogP (Chemaxon): | 5.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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