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Chemical ID: 7252089
Chemical ID:
7252089
Name [?]:
1-(4-chlorobenzoyl)-N-(3-fluoro-4-methyl-phenyl)-piperidine-3-carboxamide
SMILES [?]:
Cc1ccc(cc1F)NC(=O)C2CCCN(C2)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H20ClFN2O2/c1-13-4-9-17(11-18(13)22)23-19(25)15-3-2-10-24(12-15)20(26)14-5-7-16(21)8-6-14/h4-9,11,15H,2-3,10,12H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,14,13,3,21,25,22,24,4,15,6,17,2,20,12,23,5,7,10,18,26,8,9,16,11,19/E:(5,6)(7,8)/rA:26cCCCCCCCFNCOCCCCNCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20ClFN2O2 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5332 |
Area: | 571.156 |
Solvation: | -3.74572 |
Coulombic: | -42.4123 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 374.836 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.85 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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