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Chemical ID: 6397641
Chemical ID:
6397641
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-(4-ethylphenyl)-acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)COc2ccc(cc2C)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-3-13-4-7-15(8-5-13)19-17(20)11-21-16-9-6-14(18)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,4,8,16,5,7,15,18,12,19,3,17,6,14,10,21,9,11,13/E:(4,5)(7,8)/rA:21nCCCCCCCCNCOCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17776 |
Area: | 523.243 |
Solvation: | -3.9033 |
Coulombic: | -29.3833 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 303.783 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.42 |
LogP (Chemaxon): | 4.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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