Chemical ID: 4346295

CCNC(=O)COc1cc(c(c(c1)C)Cl)C
Chemical ID:
4346295
Name [?]:
2-(4-chloro-3,5-dimethyl-phenoxy)-N-ethyl-acetamide
SMILES [?]:
CCNC(=O)COc1cc(c(c(c1)C)Cl)C
InChi [?]:
InChI=1/C12H16ClNO2/c1-4-14-11(15)7-16-10-5-8(2)12(13)9(3)6-10/h5-6H,4,7H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,16,2,13,9,6,12,10,8,4,11,15,3,5,7/E:(2,3)(5,6)(8,9)/rA:16nCCNCOCOCCCCCCCClC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s11;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16ClNO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.41759
Area:439.903
Solvation:-3.57998
Coulombic:-28.7715
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:241.714
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.61
LogP (Chemaxon):2.51

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Descriptor Annotations

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