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Chemical ID: 5754916
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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