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Chemical ID: 4344912
Chemical ID:
4344912
Name [?]:
N-(2,3-dichlorophenyl)-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NO2/c1-10-4-2-5-11(8-10)20-9-14(19)18-13-7-3-6-12(16)15(13)17/h2-8H,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,15,3,5,16,14,7,9,2,6,17,13,10,18,20,19,12,11,8/rA:20nCCCCCCCOCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.91987 |
Area: | 501.548 |
Solvation: | -3.61884 |
Coulombic: | -30.1458 |
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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