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Chemical ID: 6544588
Chemical ID:
6544588
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(2-methyl-4-tert-butyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)COc2ccc(cc2C)C(C)(C)C
InChi [?]:
InChI=1/C20H24ClNO2/c1-13-6-8-16(11-17(13)21)22-19(23)12-24-18-9-7-15(10-14(18)2)20(3,4)5/h6-11H,12H2,1-5H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,20,22,23,24,3,16,4,15,18,6,12,2,19,17,5,7,14,10,21,8,9,11,13/E:(3,4,5)/rA:24nCCCCCCCClNCOCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24ClNO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6427 |
Area: | 576.091 |
Solvation: | -3.75953 |
Coulombic: | -30.0654 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 345.863 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.57 |
LogP (Chemaxon): | 5.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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