Chemical ID: 4203830

CCN(CC)C(=O)COc1ccc(c(c1)C)Cl
Chemical ID:
4203830
Name [?]:
2-(4-chloro-3-methyl-phenoxy)-N,N-diethyl-acetamide
SMILES [?]:
CCN(CC)C(=O)COc1ccc(c(c1)C)Cl
InChi [?]:
InChI=1/C13H18ClNO2/c1-4-15(5-2)13(16)9-17-11-6-7-12(14)10(3)8-11/h6-8H,4-5,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,16,2,4,11,12,15,8,14,10,13,6,17,3,7,9/E:(1,2)(4,5)/rA:17nCCNCCCOCOCCCCCCCCl/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18ClNO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.81926
Area:456.769
Solvation:-3.59996
Coulombic:-24.4709
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:255.74
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.95
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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