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Chemical ID: 7491585
Chemical ID:
7491585
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-2-(3,5-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)Nc2ccc(c(c2)Cl)OC)C
InChi [?]:
InChI=1/C17H18ClNO3/c1-11-6-12(2)8-14(7-11)22-10-17(20)19-13-4-5-16(21-3)15(18)9-13/h4-9H,10H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,21,14,15,3,7,5,18,9,2,4,13,6,17,16,10,19,12,11,20,8/E:(1,2)(7,8)(11,12)/rA:22nCCCCCCCOCCONCCCCCCClOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO3 |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.91097 |
Area: | 534.664 |
Solvation: | -5.45562 |
Coulombic: | -35.3432 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 319.782 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.09 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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