Chemical ID: 4796946

Cc1ccccc1c2nc(on2)c3ccccc3C(=O)Nc4cccc(c4)F
Chemical ID:
4796946
Name [?]:
N-(3-fluorophenyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]-benzamide
SMILES [?]:
Cc1ccccc1c2nc(on2)c3ccccc3C(=O)Nc4cccc(c4)F
InChi [?]:
InChI=1/C22H16FN3O2/c1-14-7-2-3-10-17(14)20-25-22(28-26-20)19-12-5-4-11-18(19)21(27)24-16-9-6-8-15(23)13-16/h2-13H,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,4,5,16,15,24,3,25,23,6,17,14,27,2,26,22,7,18,13,8,19,10,28,21,9,12,20,11/rA:28nCCCCCCCCNCONCCCCCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d8s11;s10;s13;d14;s15;d16;d13s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16FN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.4862
Area:567.546
Solvation:-3.7025
Coulombic:-39.4961
Bond Count [?]
All:31
Single:19
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:373.38
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.67
LogP (Chemaxon):5.74

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