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Chemical ID: 5165441
Chemical ID:
5165441
Name [?]:
1-(2-chlorobenzoyl)-N-(5-chloro-2-methoxy-phenyl)-piperidine-4-carboxamide
SMILES [?]:
COc1ccc(cc1NC(=O)C2CCN(CC2)C(=O)c3ccccc3Cl)Cl
InChi [?]:
InChI=1/C20H20Cl2N2O3/c1-27-18-7-6-14(21)12-17(18)23-19(25)13-8-10-24(11-9-13)20(26)15-4-2-3-5-16(15)22/h2-7,12-13H,8-11H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,22,23,21,24,5,4,13,17,14,16,7,12,6,20,25,8,3,10,18,27,26,9,15,11,19,2/E:(8,9)(10,11)/rA:27nCOCCCCCCNCOCCCNCCCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s25;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20Cl2N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9355 |
Area: | 608.11 |
Solvation: | -4.26729 |
Coulombic: | -46.2884 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 407.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.0 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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