Chemical ID: 4207491

Cc1cc(c(c(c1)C)OCC(=O)Nc2ccccc2F)C
Chemical ID:
4207491
Name [?]:
N-(2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)OCC(=O)Nc2ccccc2F)C
InChi [?]:
InChI=1/C17H18FNO2/c1-11-8-12(2)17(13(3)9-11)21-10-16(20)19-15-7-5-4-6-14(15)18/h4-9H,10H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,21,17,16,18,15,7,3,10,2,6,4,19,14,11,5,20,13,12,9/E:(2,3)(8,9)(12,13)/rA:21nCCCCCCCCOCCONCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18FNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.22987
Area:486.45
Solvation:-3.93138
Coulombic:-33.848
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:287.329
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.72
LogP (Chemaxon):3.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue