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Chemical ID: 4408040
Chemical ID:
4408040
Name [?]:
N-(2-chlorophenyl)-1-(2-methylbenzoyl)-piperidine-4-carboxamide
SMILES [?]:
Cc1ccccc1C(=O)N2CCC(CC2)C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C20H21ClN2O2/c1-14-6-2-3-7-16(14)20(25)23-12-10-15(11-13-23)19(24)22-18-9-5-4-8-17(18)21/h2-9,15H,10-13H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,4,5,22,21,3,6,23,20,12,14,11,15,2,13,7,24,19,16,8,25,18,10,17,9/E:(10,11)(12,13)/rA:25nCCCCCCCCONCCCCCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21ClN2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2388 |
Area: | 560.346 |
Solvation: | -2.76979 |
Coulombic: | -40.0399 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.846 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.9 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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