Chemical ID: 6778524

c1cc(c(cc1F)Cl)CNC(=O)C2CC(=O)N(C2)C3CCCCCCC3
Chemical ID:
6778524
Name [?]:
N-[(2-chloro-4-fluoro-phenyl)methyl]-1-cyclooctyl-5-oxo-pyrrolidine-3-carboxamide
SMILES [?]:
c1cc(c(cc1F)Cl)CNC(=O)C2CC(=O)N(C2)C3CCCCCCC3
InChi [?]:
InChI=1/C20H26ClFN2O2/c21-18-11-16(22)9-8-14(18)12-23-20(26)15-10-19(25)24(13-15)17-6-4-2-1-3-5-7-17/h8-9,11,15,17H,1-7,10,12-13H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:23,22,24,21,25,20,26,2,1,14,5,9,18,3,13,6,19,4,15,11,8,7,10,17,16,12/E:(2,3)(4,5)(6,7)/rA:26cCCCCCCFClCNCOCCCONCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;d11;s11;s13;s14;d15;s15;s13s17;s17;s19;s20;s21;s22;s23;s24;s19s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26ClFN2O2
All Atoms:52
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.4901
Area:576.3
Solvation:-3.91739
Coulombic:-40.5311
Bond Count [?]
All:28
Single:23
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:380.884
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.13
LogP (Chemaxon):3.27

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