ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 6482595

Chemical ID:

6482595

Name [?]:

2,4-dichloro-N-(2-methoxyethyl)-N-(1-methyl-4-piperidyl)-benzamide

SMILES [?]:

CN1CCC(CC1)N(CCOC)C(=O)c2ccc(cc2Cl)Cl

InChi [?]:

InChI=1/C16H22Cl2N2O2/c1-19-7-5-13(6-8-19)20(9-10-22-2)16(21)14-4-3-12(17)11-15(14)18/h3-4,11,13H,5-10H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,12,17,16,4,6,3,7,9,10,19,18,5,15,20,13,22,21,2,8,14,11/E:(5,6)(7,8)/rA:22nCNCCCCCNCCOCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8;d13;s13;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₂Cl₂N₂O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.92263
Area:	515.667
Solvation:	-3.96905
Coulombic:	-29.9044

Bond Count [?]

All:	23
Single:	19
Double:	4
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	345.264
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.02
LogP (Chemaxon):	2.04

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value