Chemical ID: 6909063

CCc1ccc(cc1)NC2CC(=O)N(C2=O)c3ccccc3F
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

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Descriptor Annotations

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