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Chemical ID: 4158636
Chemical ID:
4158636
Name [?]:
N-(2,4-dichlorophenyl)-2-(2-ethylphenoxy)-acetamide
SMILES [?]:
CCc1ccccc1OCC(=O)Nc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H15Cl2NO2/c1-2-11-5-3-4-6-15(11)21-10-16(20)19-14-8-7-12(17)9-13(14)18/h3-9H,2,10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,7,16,15,18,10,3,17,19,14,8,11,21,20,13,12,9/rA:21nCCCCCCCCOCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69736 |
Area: | 529.123 |
Solvation: | -3.53071 |
Coulombic: | -30.3608 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.201 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.61 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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