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Chemical ID: 7483827
Chemical ID:
7483827
Name [?]:
N-(5-chloro-2-methyl-phenyl)-2-(3,5-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)COc2cc(cc(c2)C)C)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-11-6-12(2)8-15(7-11)21-10-17(20)19-16-9-14(18)5-4-13(16)3/h4-9H,10H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:19,20,1,3,4,16,18,14,6,11,17,15,2,5,13,7,9,21,8,10,12/E:(1,2)(7,8)(11,12)/rA:21nCCCCCCCNCOCOCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s15;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO2 |
All Atoms: | 39 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.11197 |
Area: | 519.149 |
Solvation: | -3.86675 |
Coulombic: | -29.0879 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 303.783 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.4 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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