Chemical ID: 4409024

CCCCC(=O)Nc1ccc(cc1C(F)(F)F)Cl
Chemical ID:
4409024
Name [?]:
N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide
SMILES [?]:
CCCCC(=O)Nc1ccc(cc1C(F)(F)F)Cl
InChi [?]:
InChI=1/C12H13ClF3NO/c1-2-3-4-11(18)17-10-6-5-8(13)7-9(10)12(14,15)16/h5-7H,2-4H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,10,9,12,11,13,8,5,14,18,15,16,17,7,6/E:(14,15,16)/rA:18nCCCCCONCCCCCCCFFFCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;s14;s14;s11;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13ClF3NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.93963
Area:444.077
Solvation:-2.1623
Coulombic:-39.5449
Bond Count [?]
All:18
Single:14
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:279.686
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.21
LogP (Chemaxon):4.19

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