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Chemical ID: 7474955
Chemical ID:
7474955
Name [?]:
N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NO2/c1-10-3-2-4-12(7-10)20-9-15(19)18-14-8-11(16)5-6-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,16,17,7,14,9,2,15,6,18,13,10,20,19,12,11,8/rA:20nCCCCCCCOCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO2 |
All Atoms: | 33 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.02813 |
Area: | 508.427 |
Solvation: | -3.68254 |
Coulombic: | -29.883 |
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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