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Chemical ID: 7474151
Chemical ID:
7474151
Name [?]:
2-(2-chlorophenoxy)-N-(2,6-dimethylphenyl)-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)COc2ccccc2Cl)C
InChi [?]:
InChI=1/C16H16ClNO2/c1-11-6-5-7-12(2)16(11)18-15(19)10-20-14-9-4-3-8-13(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,16,15,4,3,5,17,14,11,2,6,18,13,9,7,19,8,10,12/E:(1,2)(6,7)(11,12)/rA:20nCCCCCCCNCOCOCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;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: | 7.74715 |
Area: | 485.838 |
Solvation: | -4.39879 |
Coulombic: | -29.0816 |
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): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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