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Chemical ID: 4248710

CCCC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)c3ccc(cc3)F

Chemical ID:

4248710

Name [?]:

N-[4-(4-butanoylpiperazin-1-yl)phenyl]-4-fluoro-benzamide

SMILES [?]:

CCCC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)c3ccc(cc3)F

InChi [?]:

InChI=1/C21H24FN3O2/c1-2-3-20(26)25-14-12-24(13-15-25)19-10-8-18(9-11-19)23-21(27)16-4-6-17(22)7-5-16/h4-11H,2-3,12-15H2,1H3,(H,23,27)

InChi Info:

AuxInfo=1/1/N:1,2,3,22,26,23,25,14,16,13,17,8,10,7,11,21,24,15,12,4,19,27,18,9,6,5,20/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:27nCCCCONCCNCCCCCCCCNCOCCCCCCF/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₄FN₃O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1403
Area:	595.271
Solvation:	-4.74145
Coulombic:	-46.9931

Bond Count [?]

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

Chemical Properties

Molecular Weight:	369.433
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.62
LogP (Chemaxon):	3.64

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

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Chemical Mix	Source	External ID	Descriptor	Value