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Chemical ID: 7193090

CN(Cc1ccccc1)C(=O)C2CCC[NH+](C2)Cc3cccc(c3)F

Chemical ID:

7193090

Name [?]:

N-benzyl-1-[(3-fluorophenyl)methyl]-N-methyl-3,4,5,6-tetrahydro-2H-pyridine-3-carboxamide

SMILES [?]:

CN(Cc1ccccc1)C(=O)C2CCC[NH+](C2)Cc3cccc(c3)F

InChi [?]:

InChI=1/C21H25FN2O/c1-23(14-17-7-3-2-4-8-17)21(25)19-10-6-12-24(16-19)15-18-9-5-11-20(22)13-18/h2-5,7-9,11,13,19H,6,10,12,14-16H2,1H3/p+1

InChi Info:

AuxInfo=1/1/N:1,7,6,8,21,14,5,9,20,13,22,15,24,3,18,17,4,19,12,23,10,25,2,16,11/E:(3,4)(7,8)/rA:25cCNCCCCCCCCOCCCCN+CCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;s13;s14;s15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆FN₂O+
All Atoms:	51
Heavy Atoms:	25
Chiral Atoms:	2

ZAP Information [?]

Total:	-19.9143
Area:	553.784
Solvation:	-33.7589
Coulombic:	10.1037

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	341.442
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.49
LogP (Chemaxon):	3.67

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