Chemical ID: 7491393

CC(C)(C)c1ccc(cc1)OCC(=O)Nc2cc(ccc2Cl)Cl
Chemical ID:
7491393
Name [?]:
N-(2,5-dichlorophenyl)-2-(4-tert-butylphenoxy)-acetamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCC(=O)Nc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C18H19Cl2NO2/c1-18(2,3)12-4-7-14(8-5-12)23-11-17(22)21-16-10-13(19)6-9-15(16)20/h4-10H,11H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,10,19,7,9,20,17,12,5,18,8,21,16,13,2,23,22,15,14,11/E:(1,2,3)(4,5)(7,8)/rA:23nCCCCCCCCCCOCCONCCCCCCClCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19Cl2NO2
All Atoms:42
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.5802
Area:569.342
Solvation:-3.6533
Coulombic:-30.7226
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.254
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.74
LogP (Chemaxon):4.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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