Chemical ID: 5718440

CCc1ccc(cc1)OCC(=O)Nc2ccccc2OC(F)F
Chemical ID:
5718440
Name [?]:
N-[2-(difluoromethoxy)phenyl]-2-(4-ethylphenoxy)-acetamide
SMILES [?]:
CCc1ccc(cc1)OCC(=O)Nc2ccccc2OC(F)F
InChi [?]:
InChI=1/C17H17F2NO3/c1-2-12-7-9-13(10-8-12)22-11-16(21)20-14-5-3-4-6-15(14)23-17(18)19/h3-10,17H,2,11H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,15,18,4,8,5,7,10,3,6,14,19,11,21,22,23,13,12,9,20/E:(7,8)(9,10)(18,19)/rA:23nCCCCCCCCOCCONCCCCCCOCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17F2NO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.535
Area:515.968
Solvation:-5.3642
Coulombic:-49.2149
Bond Count [?]
All:24
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:321.319
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.2
LogP (Chemaxon):4.34

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