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Chemical ID: 4431163

c1ccc(c(c1)N2CCN(CC2)C3CC(=O)N(C3=O)c4ccc(cc4)F)F

Chemical ID:

4431163

Name [?]:

1-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-pyrrolidine-2,5-dione

SMILES [?]:

c1ccc(c(c1)N2CCN(CC2)C3CC(=O)N(C3=O)c4ccc(cc4)F)F

InChi [?]:

InChI=1/C20H19F2N3O2/c21-14-5-7-15(8-6-14)25-19(26)13-18(20(25)27)24-11-9-23(10-12-24)17-4-2-1-3-16(17)22/h1-8,18H,9-13H2

InChi Info:

AuxInfo=1/0/N:2,1,3,6,22,24,21,25,8,12,9,11,14,23,20,4,5,13,15,18,26,27,7,10,17,16,19/E:(5,6)(7,8)(9,10)(11,12)/rA:27cCCCCCCNCCNCCCCCONCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s15;s13s17;d18;s17;s20;d21;s22;d23;d20s24;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₉F₂N₃O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	7.63168
Area:	540.497
Solvation:	-5.88074
Coulombic:	-43.2395

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	371.381
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.67
LogP (Chemaxon):	3.08

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value