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Chemical ID: 7294045
Chemical ID:
7294045
Name [?]:
1-(2,4-difluorophenyl)-3-(m-tolylamino)pyrrolidine-2,5-dione
SMILES [?]:
Cc1cccc(c1)NC2CC(=O)N(C2=O)c3ccc(cc3F)F
InChi [?]:
InChI=1/C17H14F2N2O2/c1-10-3-2-4-12(7-10)20-14-9-16(22)21(17(14)23)15-6-5-11(18)8-13(15)19/h2-8,14,20H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,18,17,7,20,10,2,19,6,21,9,16,11,14,23,22,8,13,12,15/rA:23cCCCCCCCNCCCONCOCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s11;s9s13;d14;s13;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14F2N2O2 |
All Atoms: | 37 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.18492 |
Area: | 487.178 |
Solvation: | -4.99454 |
Coulombic: | -42.3996 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 316.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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