Chemical ID: 6166282

CC(C)CNC(=O)C1CCN(CC1)C(=O)c2ccc(cc2Cl)Cl
Chemical ID:
6166282
Name [?]:
1-(2,4-dichlorobenzoyl)-N-isobutyl-piperidine-4-carboxamide
SMILES [?]:
CC(C)CNC(=O)C1CCN(CC1)C(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C17H22Cl2N2O2/c1-11(2)10-20-16(22)12-5-7-21(8-6-12)17(23)14-4-3-13(18)9-15(14)19/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,9,13,10,12,20,4,2,8,19,16,21,6,14,23,22,5,11,7,15/E:(1,2)(5,6)(7,8)/rA:23nCCCCNCOCCCNCCCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22Cl2N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.1605
Area:569.882
Solvation:-3.0865
Coulombic:-38.7769
Bond Count [?]
All:24
Single:19
Double:5
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:357.274
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.6
LogP (Chemaxon):2.87

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Descriptor Annotations

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