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Chemical ID: 7468653
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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