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Chemical ID: 6734505
Chemical ID:
6734505
Name [?]:
4-benzoyl-5-(2-fluorophenyl)-1-(2-hydroxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
c1ccc(cc1)C(=O)C2C(N(C(=O)C2=O)CCO)c3ccccc3F
InChi [?]:
InChI=1/C19H16FNO4/c20-14-9-5-4-8-13(14)16-15(17(23)12-6-2-1-3-7-12)18(24)19(25)21(16)10-11-22/h1-9,15-16,22H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,21,22,3,5,20,23,16,17,4,19,24,9,10,7,14,12,25,11,18,8,15,13/E:(2,3)(6,7)/rA:25cCCCCCCCOCCNCOCOCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;d12;s9s12;d14;s11;s16;s17;s10;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16FNO4 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.84514 |
Area: | 518.281 |
Solvation: | -6.11187 |
Coulombic: | -54.6 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 341.333 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.46 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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