Chemical ID: 4511157

CCc1ccc(cc1)NC(=O)C2CCN(CC2)C(=O)c3cccc(c3)Cl
Chemical ID:
4511157
Name [?]:
1-(3-chlorobenzoyl)-N-(4-ethylphenyl)-piperidine-4-carboxamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)C2CCN(CC2)C(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C21H23ClN2O2/c1-2-15-6-8-19(9-7-15)23-20(25)16-10-12-24(13-11-16)21(26)17-4-3-5-18(22)14-17/h3-9,14,16H,2,10-13H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,23,4,8,5,7,13,17,14,16,25,3,12,20,24,6,10,18,26,9,15,11,19/E:(6,7)(8,9)(10,11)(12,13)/rA:26nCCCCCCCCNCOCCCNCCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23ClN2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.8655
Area:599.131
Solvation:-3.11283
Coulombic:-39.2945
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:370.872
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.36
LogP (Chemaxon):4.16

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