Chemical ID: 5989219

c1ccc(c(c1)NC(=O)N2CCCCC2c3nc(no3)c4cccc(c4)Cl)F
Chemical ID:
5989219
Name [?]:
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)-piperidine-1-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)N2CCCCC2c3nc(no3)c4cccc(c4)Cl)F
InChi [?]:
InChI=1/C20H18ClFN4O2/c21-14-7-5-6-13(12-14)18-24-19(28-25-18)17-10-3-4-11-26(17)20(27)23-16-9-2-1-8-15(16)22/h1-2,5-9,12,17H,3-4,10-11H2,(H,23,27)
InChi Info:
AuxInfo=1/1/N:2,1,13,12,23,22,24,3,6,14,11,26,21,25,4,5,15,18,16,8,27,28,7,17,19,10,9,20/rA:28cCCCCCCNCONCCCCCCNCNOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s10s14;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18ClFN4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.5684
Area:587.143
Solvation:-3.1102
Coulombic:-48.6642
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:400.834
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.66
LogP (Chemaxon):4.29

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