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Chemical ID: 6544711
Chemical ID:
6544711
Name [?]:
N-(4-chlorophenyl)-2-(2-methyl-4-tert-butyl-phenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)Nc2ccc(cc2)Cl)C(C)(C)C
InChi [?]:
InChI=1/C19H22ClNO2/c1-13-11-14(19(2,3)4)5-10-17(13)23-12-18(22)21-16-8-6-15(20)7-9-16/h5-11H,12H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,5,15,17,14,18,6,3,9,2,4,16,13,7,10,20,19,12,11,8/E:(2,3,4)(6,7)(8,9)/rA:23nCCCCCCCOCCONCCCCCCClCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s4;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClNO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1191 |
Area: | 558.444 |
Solvation: | -3.84203 |
Coulombic: | -30.0717 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 331.836 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.34 |
LogP (Chemaxon): | 5.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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