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Chemical ID: 6990129
Chemical ID:
6990129
Name [?]:
N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)Nc2ccccc2Cl)C
InChi [?]:
InChI=1/C16H16ClNO2/c1-11-6-5-7-12(2)16(11)20-10-15(19)18-14-9-4-3-8-13(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,16,15,4,3,5,17,14,9,2,6,18,13,10,7,19,12,11,8/E:(1,2)(6,7)(11,12)/rA:20nCCCCCCCOCCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO2 |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.90399 |
Area: | 488.484 |
Solvation: | -3.30812 |
Coulombic: | -30.6034 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 289.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.75 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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