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Chemical ID: 4511157
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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