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Chemical ID: 4147273
Chemical ID:
4147273
Name [?]:
2-(2,5-dichlorophenoxy)-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)COc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NO2/c1-10-2-5-12(6-3-10)18-15(19)9-20-14-8-11(16)4-7-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,7,16,4,6,17,14,11,2,15,5,18,13,9,20,19,8,10,12/E:(2,3)(5,6)/rA:20nCCCCCCCNCOCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48203 |
Area: | 508.711 |
Solvation: | -4.23575 |
Coulombic: | -28.9899 |
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): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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