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Chemical ID: 6166451

Chemical ID:

6166451

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C16H20Cl2N2O2/c1-2-7-19-15(21)11-5-8-20(9-6-11)16(22)13-4-3-12(17)10-14(13)18/h3-4,10-11H,2,5-9H2,1H3,(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:s1;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:	C₁₆H₂₀Cl₂N₂O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6736
Area:	551.798
Solvation:	-3.12134
Coulombic:	-38.4752

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	343.248
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.3
LogP (Chemaxon):	2.47

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