Chemical ID: 6677294

c1cc(c(cc1Cl)C(F)(F)F)NC(=O)C2CCCCC2
Chemical ID:
6677294
Name [?]:
N-[4-chloro-2-(trifluoromethyl)phenyl]cyclohexanecarboxamide
SMILES [?]:
c1cc(c(cc1Cl)C(F)(F)F)NC(=O)C2CCCCC2
InChi [?]:
InChI=1/C14H15ClF3NO/c15-10-6-7-12(11(8-10)14(16,17)18)19-13(20)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:18,17,19,16,20,1,2,5,15,6,4,3,13,8,7,9,10,11,12,14/E:(2,3)(4,5)(16,17,18)/rA:20nCCCCCCClCFFFNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s8;s8;s3;s12;d13;s13;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15ClF3NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.40167
Area:456.376
Solvation:-2.00773
Coulombic:-40.2369
Bond Count [?]
All:21
Single:17
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:305.723
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.74
LogP (Chemaxon):4.65

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