Chemical ID: 5754916

c1ccc(cc1)CC2CCN(CC2)CC(=O)Nc3cc(cc(c3)Cl)Cl
Chemical ID:
5754916
Name [?]:
2-(4-benzyl-1-piperidyl)-N-(3,5-dichlorophenyl)-acetamide
SMILES [?]:
c1ccc(cc1)CC2CCN(CC2)CC(=O)Nc3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C20H22Cl2N2O/c21-17-11-18(22)13-19(12-17)23-20(25)14-24-8-6-16(7-9-24)10-15-4-2-1-3-5-15/h1-5,11-13,16H,6-10,14H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,13,10,12,7,21,19,23,14,4,8,20,22,18,15,25,24,17,11,16/E:(2,3)(4,5)(6,7)(8,9)(12,13)(17,18)(21,22)/rA:25nCCCCCCCCCCNCCCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22Cl2N2O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.1394
Area:601.796
Solvation:-2.90545
Coulombic:-27.8144
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:377.307
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.86
LogP (Chemaxon):4.94

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Descriptor Annotations

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