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Chemical ID: 4143287
Chemical ID:
4143287
Name [?]:
N-(2-chlorophenyl)-2-(5-methyl-2-tert-butyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2ccccc2Cl)C(C)(C)C
InChi [?]:
InChI=1/C19H22ClNO2/c1-13-9-10-14(19(2,3)4)17(11-13)23-12-18(22)21-16-8-6-5-7-15(16)20/h5-11H,12H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,16,15,17,14,3,4,7,9,2,5,18,13,6,10,20,19,12,11,8/E:(2,3,4)/rA:23nCCCCCCCOCCONCCCCCCClCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s5;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClNO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.191 |
Area: | 541.148 |
Solvation: | -3.33769 |
Coulombic: | -30.9587 |
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): | 4.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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