Chemical ID: 7505852

CCC(C)c1ccc(cc1)OCC(=O)Nc2cc(cc(c2)Cl)Cl
Chemical ID:
7505852
Name [?]:
N-(3,5-dichlorophenyl)-2-(4-sec-butylphenoxy)-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)OCC(=O)Nc2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C18H19Cl2NO2/c1-3-12(2)13-4-6-17(7-5-13)23-11-18(22)21-16-9-14(19)8-15(20)10-16/h4-10,12H,3,11H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,2,6,10,7,9,19,17,21,12,3,5,18,20,16,8,13,23,22,15,14,11/E:(4,5)(6,7)(9,10)(14,15)(19,20)/rA:23cCCCCCCCCCCOCCONCCCCCCClCl/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19Cl2NO2
All Atoms:42
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.6699
Area:582.424
Solvation:-3.89073
Coulombic:-30.0902
Bond Count [?]
All:24
Single:17
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:352.254
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.89
LogP (Chemaxon):5.5

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