Chemical ID: 4943997

CCNC(=O)COc1ccc(c(c1)C)Cl
Chemical ID:
4943997
Name [?]:
2-(4-chloro-3-methyl-phenoxy)-N-ethyl-acetamide
SMILES [?]:
CCNC(=O)COc1ccc(c(c1)C)Cl
InChi [?]:
InChI=1/C11H14ClNO2/c1-3-13-11(14)7-15-9-4-5-10(12)8(2)6-9/h4-6H,3,7H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,2,9,10,13,6,12,8,11,4,15,3,5,7/rA:15nCCNCOCOCCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s11;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14ClNO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.95259
Area:424.095
Solvation:-3.6498
Coulombic:-28.7971
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:227.687
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.38
LogP (Chemaxon):2.05

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Descriptor Annotations

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