Chemical ID: 7468653

c1ccc(c(c1)N2C(=O)CC(C2=O)Nc3ccc(cc3)N4CCCCC4)F
Chemical ID:
7468653
Name [?]:
1-(2-fluorophenyl)-3-[4-(1-piperidyl)phenyl]amino-pyrrolidine-2,5-dione
SMILES [?]:
c1ccc(c(c1)N2C(=O)CC(C2=O)Nc3ccc(cc3)N4CCCCC4)F
InChi [?]:
InChI=1/C21H22FN3O2/c22-17-6-2-3-7-19(17)25-20(26)14-18(21(25)27)23-15-8-10-16(11-9-15)24-12-4-1-5-13-24/h2-3,6-11,18,23H,1,4-5,12-14H2
InChi Info:
AuxInfo=1/0/N:24,2,1,23,25,3,6,16,20,17,19,22,26,10,15,18,4,11,5,8,12,27,14,21,7,9,13/E:(4,5)(8,9)(10,11)(12,13)/rA:27cCCCCCCNCOCCCONCCCCCCNCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s7s11;d12;s11;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;s24;s21s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22FN3O2
All Atoms:49
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.28781
Area:566.919
Solvation:-4.88516
Coulombic:-46.0766
Bond Count [?]
All:30
Single:22
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:367.417
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.8
LogP (Chemaxon):3.44

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Descriptor Annotations

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