Chemical ID: 4295095

c1cc(ccc1NC2CC(=O)N(C2=O)c3ccc(cc3)Br)F
Chemical ID:
4295095
Name [?]:
1-(4-bromophenyl)-3-(4-fluorophenyl)amino-pyrrolidine-2,5-dione
SMILES [?]:
c1cc(ccc1NC2CC(=O)N(C2=O)c3ccc(cc3)Br)F
InChi [?]:
InChI=1/C16H12BrFN2O2/c17-10-1-7-13(8-2-10)20-15(21)9-14(16(20)22)19-12-5-3-11(18)4-6-12/h1-8,14,19H,9H2
InChi Info:
AuxInfo=1/0/N:17,19,2,4,1,5,16,20,9,18,3,6,15,8,10,13,21,22,7,12,11,14/E:(1,2)(3,4)(5,6)(7,8)/rA:22cCCCCCCNCCCONCOCCCCCCBrF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s10;s8s12;d13;s12;s15;d16;s17;d18;d15s19;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12BrFN2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.01599
Area:491.201
Solvation:-4.26404
Coulombic:-39.5752
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:363.181
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.53
LogP (Chemaxon):3.24

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