Chemical ID: 7261626

Cc1cc(cc(c1OCC(=O)NC(C)C)C)Cl
Chemical ID:
7261626
Name [?]:
2-(4-chloro-2,6-dimethyl-phenoxy)-N-isopropyl-acetamide
SMILES [?]:
Cc1cc(cc(c1OCC(=O)NC(C)C)C)Cl
InChi [?]:
InChI=1/C13H18ClNO2/c1-8(2)15-12(16)7-17-13-9(3)5-11(14)6-10(13)4/h5-6,8H,7H2,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:14,15,1,16,3,5,9,13,2,6,4,10,7,17,12,11,8/E:(1,2)(3,4)(5,6)(9,10)/rA:17nCCCCCCCOCCONCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s13;s6;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18ClNO2
All Atoms:35
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.25568
Area:460.731
Solvation:-3.26261
Coulombic:-29.3676
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:255.74
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.07
LogP (Chemaxon):2.93

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Descriptor Annotations

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