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Chemical ID: 6719567

Chemical ID:

6719567

Name [?]:

4-fluoro-N-[2-(2,3,4,5-tetrahydropyrrol-1-yl)ethyl]benzamide

SMILES [?]:

c1cc(ccc1C(=O)NCC[NH+]2CCCC2)F

InChi [?]:

InChI=1/C13H17FN2O/c14-12-5-3-11(4-6-12)13(17)15-7-10-16-8-1-2-9-16/h3-6H,1-2,7-10H2,(H,15,17)/p+1

InChi Info:

AuxInfo=1/1/N:14,15,1,5,2,4,10,13,16,11,6,3,7,17,9,12,8/E:(1,2)(3,4)(5,6)(8,9)/rA:17nCCCCCCCONCCN+CCCCF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s12s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₈FN₂O+
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	-22.97
Area:	431.564
Solvation:	-33.7591
Coulombic:	5.32827

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	237.293
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	1.95
LogP (Chemaxon):	1.39

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