Chemical ID: 4143287

Cc1ccc(c(c1)OCC(=O)Nc2ccccc2Cl)C(C)(C)C
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

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Descriptor Annotations

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