Chemical ID: 4304940

c1ccc(cc1)N2C(=O)CC(C2=O)N3CCN(CC3)c4ccccc4F
Chemical ID:
4304940
Name [?]:
3-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenyl-pyrrolidine-2,5-dione
SMILES [?]:
c1ccc(cc1)N2C(=O)CC(C2=O)N3CCN(CC3)c4ccccc4F
InChi [?]:
InChI=1/C20H20FN3O2/c21-16-8-4-5-9-17(16)22-10-12-23(13-11-22)18-14-19(25)24(20(18)26)15-6-2-1-3-7-15/h1-9,18H,10-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,23,22,3,5,24,21,16,18,15,19,10,4,25,20,11,8,12,26,17,14,7,9,13/E:(2,3)(6,7)(10,11)(12,13)/rA:26cCCCCCCNCOCCCONCCNCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s7s11;d12;s11;s14;s15;s16;s17;s14s18;s17;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20FN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:8.5008
Area:541.395
Solvation:-5.03408
Coulombic:-40.5804
Bond Count [?]
All:29
Single:21
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:353.39
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.51
LogP (Chemaxon):2.94

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Descriptor Annotations

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