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Chemical ID: 6909063
Chemical ID:
6909063
Name [?]:
3-(4-ethylphenyl)amino-1-(2-fluorophenyl)-pyrrolidine-2,5-dione
SMILES [?]:
CCc1ccc(cc1)NC2CC(=O)N(C2=O)c3ccccc3F
InChi [?]:
InChI=1/C18H17FN2O2/c1-2-12-7-9-13(10-8-12)20-15-11-17(22)21(18(15)23)16-6-4-3-5-14(16)19/h3-10,15,20H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,19,21,18,4,8,5,7,11,3,6,22,10,17,12,15,23,9,14,13,16/E:(7,8)(9,10)/rA:23cCCCCCCCCNCCCONCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s12;s10s14;d15;s14;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17FN2O2 |
All Atoms: | 40 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.58663 |
Area: | 508.08 |
Solvation: | -4.11538 |
Coulombic: | -40.8203 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 312.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.63 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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