Chemical ID: 4158169

CCc1ccccc1OCC(=O)Nc2c(cc(cc2Cl)C)C
Chemical ID:
4158169
Name [?]:
N-(2-chloro-4,6-dimethyl-phenyl)-2-(2-ethylphenoxy)-acetamide
SMILES [?]:
CCc1ccccc1OCC(=O)Nc2c(cc(cc2Cl)C)C
InChi [?]:
InChI=1/C18H20ClNO2/c1-4-14-7-5-6-8-16(14)22-11-17(21)20-18-13(3)9-12(2)10-15(18)19/h5-10H,4,11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,22,2,5,6,4,7,16,18,10,17,15,3,19,8,11,14,20,13,12,9/rA:22nCCCCCCCCOCCONCCCCCCClCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20ClNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.36524
Area:531.843
Solvation:-3.93083
Coulombic:-29.7246
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.81
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.65
LogP (Chemaxon):3.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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