Chemical ID: 6399124

c1cc(cc(c1)F)C(=O)NC2CCCCCCC2
Chemical ID:
6399124
Name [?]:
N-cyclooctyl-3-fluoro-benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)NC2CCCCCCC2
InChi [?]:
InChI=1/C15H20FNO/c16-13-8-6-7-12(11-13)15(18)17-14-9-4-2-1-3-5-10-14/h6-8,11,14H,1-5,9-10H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:15,14,16,13,17,1,2,6,12,18,4,3,5,11,8,7,10,9/E:(2,3)(4,5)(9,10)/rA:18nCCCCCCFCONCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;s14;s15;s16;s11s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20FNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.4469
Area:428.014
Solvation:-2.25344
Coulombic:-27.456
Bond Count [?]
All:19
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:249.324
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.55
LogP (Chemaxon):3.46

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