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Chemical ID: 5846984

c1cc(ccc1NC(=O)CCC(=O)N2CCN(CC2)c3ccc(cc3)F)F

Chemical ID:

5846984

Name [?]:

N-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-butanamide

SMILES [?]:

c1cc(ccc1NC(=O)CCC(=O)N2CCN(CC2)c3ccc(cc3)F)F

InChi [?]:

InChI=1/C20H21F2N3O2/c21-15-1-5-17(6-2-15)23-19(26)9-10-20(27)25-13-11-24(12-14-25)18-7-3-16(22)4-8-18/h1-8H,9-14H2,(H,23,26)

InChi Info:

AuxInfo=1/1/N:2,4,22,24,1,5,21,25,10,11,16,18,15,19,3,23,6,20,8,12,27,26,7,17,14,9,13/E:(1,2)(3,4)(5,6)(7,8)(11,12)(13,14)/rA:27nCCCCCCNCOCCCONCCNCCCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s17;s20;d21;s22;d23;d20s24;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₁F₂N₃O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	9.15072
Area:	579.959
Solvation:	-5.34825
Coulombic:	-48.323

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	373.397
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.71
LogP (Chemaxon):	3.03

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