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Chemical ID: 6700089

Chemical ID:

6700089

Name [?]:

N-(4-chlorophenyl)-2-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)acetamide

SMILES [?]:

c1cc(ccc1NC(=O)C[NH+]2CCCCC2)Cl

InChi [?]:

InChI=1/C13H17ClN2O/c14-11-4-6-12(7-5-11)15-13(17)10-16-8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,15,17)/p+1

InChi Info:

AuxInfo=1/1/N:14,13,15,2,4,1,5,12,16,10,3,6,8,17,7,11,9/E:(2,3)(4,5)(6,7)(8,9)/rA:17nCCCCCCNCOCN+CCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₈ClN₂O+
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	-20.6974
Area:	438.053
Solvation:	-31.6488
Coulombic:	9.65113

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	253.748
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.29
LogP (Chemaxon):	2.48

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