Chemical ID: 4806740

c1ccc(c(c1)c2nc(no2)c3ccccc3F)C(=O)NC4CCCCC4
Chemical ID:
4806740
Name [?]:
N-cyclohexyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-benzamide
SMILES [?]:
c1ccc(c(c1)c2nc(no2)c3ccccc3F)C(=O)NC4CCCCC4
InChi [?]:
InChI=1/C21H20FN3O2/c22-18-13-7-6-12-17(18)19-24-21(27-25-19)16-11-5-4-10-15(16)20(26)23-14-8-2-1-3-9-14/h4-7,10-14H,1-3,8-9H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:25,24,26,2,1,14,15,23,27,3,6,13,16,22,4,5,12,17,9,19,7,18,21,8,10,20,11/E:(2,3)(8,9)/rA:27nCCCCCCCNCNOCCCCCCFCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s17;s4;d19;s19;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20FN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.3709
Area:565.407
Solvation:-3.76425
Coulombic:-39.3613
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:365.401
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.5
LogP (Chemaxon):4.7

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Descriptor Annotations

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