Chemical ID: 6722524

c1cc(ccc1CNC(=O)C2CC(=O)N(C2)C3CCCCCCC3)F
Chemical ID:
6722524
Name [?]:
1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
SMILES [?]:
c1cc(ccc1CNC(=O)C2CC(=O)N(C2)C3CCCCCCC3)F
InChi [?]:
InChI=1/C20H27FN2O2/c21-17-10-8-15(9-11-17)13-22-20(25)16-12-19(24)23(14-16)18-6-4-2-1-3-5-7-18/h8-11,16,18H,1-7,12-14H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:21,20,22,19,23,18,24,1,5,2,4,12,7,16,6,11,3,17,13,9,25,8,15,14,10/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:25cCCCCCCCNCOCCCONCCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;d13;s13;s11s15;s15;s17;s18;s19;s20;s21;s22;s17s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27FN2O2
All Atoms:52
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.059
Area:558.404
Solvation:-3.90113
Coulombic:-40.7847
Bond Count [?]
All:27
Single:22
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:346.439
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.51
LogP (Chemaxon):2.75

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Descriptor Annotations

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