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Chemical ID: 5165335

Chemical ID:

5165335

Name [?]:

N-allyl-1-(2,4-dichlorobenzoyl)-piperidine-4-carboxamide

SMILES [?]:

C=CCNC(=O)C1CCN(CC1)C(=O)c2ccc(cc2Cl)Cl

InChi [?]:

InChI=1/C16H18Cl2N2O2/c1-2-7-19-15(21)11-5-8-20(9-6-11)16(22)13-4-3-12(17)10-14(13)18/h2-4,10-11H,1,5-9H2,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,2,17,16,8,12,3,9,11,19,7,18,15,20,5,13,22,21,4,10,6,14/E:(5,6)(8,9)/rA:22nCCCNCOCCCNCCCOCCCCCCClCl/rB:d1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₈Cl₂N₂O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.517
Area:	546.28
Solvation:	-3.14001
Coulombic:	-39.6681

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	341.232
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.13
LogP (Chemaxon):	2.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value