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Chemical ID: 6616608
Chemical ID:
6616608
Name [?]:
1-(4-chlorobenzoyl)-N-(4-chloro-2-methyl-phenyl)-piperidine-4-carboxamide
SMILES [?]:
Cc1cc(ccc1NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)Cl)Cl
InChi [?]:
InChI=1/C20H20Cl2N2O2/c1-13-12-17(22)6-7-18(13)23-19(25)14-8-10-24(11-9-14)20(26)15-2-4-16(21)5-3-15/h2-7,12,14H,8-11H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,20,24,21,23,5,6,12,16,13,15,3,2,11,19,22,4,7,9,17,25,26,8,14,10,18/E:(2,3)(4,5)(8,9)(10,11)/rA:26nCCCCCCCNCOCCCNCCCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20Cl2N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0134 |
Area: | 602.88 |
Solvation: | -3.05864 |
Coulombic: | -39.1763 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 391.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.31 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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