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Chemical ID: 4090660
Chemical ID:
4090660
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2-(4-ethylphenoxy)-acetamide
SMILES [?]:
CCc1ccc(cc1)OCC(=O)Nc2cccc(c2C)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-3-13-7-9-14(10-8-13)21-11-17(20)19-16-6-4-5-15(18)12(16)2/h4-10H,3,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,16,17,15,4,8,5,7,10,19,3,6,18,14,11,21,13,12,9/E:(7,8)(9,10)/rA:21nCCCCCCCCOCCONCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.20255 |
Area: | 519.185 |
Solvation: | -3.77707 |
Coulombic: | -29.7824 |
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): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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