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Chemical ID: 7298332
Chemical ID:
7298332
Name [?]:
N-(2-chloro-4-methyl-phenyl)-2-(3-chlorophenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)Cl)NC(=O)COc2cccc(c2)Cl
InChi [?]:
InChI=1/C15H13Cl2NO2/c1-10-5-6-14(13(17)7-10)18-15(19)9-20-12-4-2-3-11(16)8-12/h2-8H,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,3,4,7,19,12,2,18,14,6,5,10,20,8,9,11,13/rA:20nCCCCCCCClNCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO2 |
All Atoms: | 33 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16374 |
Area: | 511.014 |
Solvation: | -3.61159 |
Coulombic: | -30.0195 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 310.175 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.36 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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