Chemical ID: 7294045

Cc1cccc(c1)NC2CC(=O)N(C2=O)c3ccc(cc3F)F
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

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