Chemical ID: 4348736

c1cc(ccc1OCC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)Cl
Chemical ID:
4348736
Name [?]:
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-chlorophenoxy)-acetamide
SMILES [?]:
c1cc(ccc1OCC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)Cl
InChi [?]:
InChI=1/C16H10ClF6NO2/c17-11-1-3-13(4-2-11)26-8-14(25)24-12-6-9(15(18,19)20)5-10(7-12)16(21,22)23/h1-7H,8H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,15,13,17,8,14,16,3,12,6,9,22,18,26,23,24,25,19,20,21,11,10,7/E:(1,2)(3,4)(6,7)(9,10)(15,16)(18,19,20,21,22,23)/rA:26nCCCCCCOCCONCCCCCCCFFFCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;s14;s22;s22;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10ClF6NO2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.97809
Area:547.614
Solvation:-5.71225
Coulombic:-64.4042
Bond Count [?]
All:27
Single:20
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:397.699
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.15
LogP (Chemaxon):5.16

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