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Chemical ID: 6711674

Chemical ID:

6711674

Name [?]:

N-(4-fluorophenyl)-3-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)propanamide

SMILES [?]:

c1cc(ccc1NC(=O)CC[NH+]2CCCCC2)F

InChi [?]:

InChI=1/C14H19FN2O/c15-12-4-6-13(7-5-12)16-14(18)8-11-17-9-2-1-3-10-17/h4-7H,1-3,8-11H2,(H,16,18)/p+1

InChi Info:

AuxInfo=1/1/N:15,14,16,2,4,1,5,10,13,17,11,3,6,8,18,7,12,9/E:(2,3)(4,5)(6,7)(9,10)/rA:18nCCCCCCNCOCCN+CCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₀FN₂O+
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	-22.6784
Area:	441.057
Solvation:	-33.7049
Coulombic:	8.04508

Bond Count [?]

All:	19
Single:	15
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	251.32
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	1.98
LogP (Chemaxon):	2.28

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value