Chemical ID: 4090660

CCc1ccc(cc1)OCC(=O)Nc2cccc(c2C)Cl
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

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