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Chemical ID: 7505867
Chemical ID:
7505867
Name [?]:
N-(2,3-dichlorophenyl)-2-(4-sec-butylphenoxy)-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)OCC(=O)Nc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C18H19Cl2NO2/c1-3-12(2)13-7-9-14(10-8-13)23-11-17(22)21-16-6-4-5-15(19)18(16)20/h4-10,12H,3,11H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,2,18,19,17,6,10,7,9,12,3,5,8,20,16,13,21,23,22,15,14,11/E:(7,8)(9,10)/rA:23cCCCCCCCCCCOCCONCCCCCCClCl/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19Cl2NO2 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6702 |
Area: | 570.344 |
Solvation: | -3.5884 |
Coulombic: | -31.0987 |
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): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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