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Chemical ID: 4203956
Chemical ID:
4203956
Name [?]:
1-[(2-chloro-6-fluoro-phenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
c1ccc(c(c1)CNC(=O)C2CCN(CC2)Cc3c(cccc3Cl)F)Cl
InChi [?]:
InChI=1/C20H21Cl2FN2O/c21-17-5-2-1-4-15(17)12-24-20(26)14-8-10-25(11-9-14)13-16-18(22)6-3-7-19(16)23/h1-7,14H,8-13H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,21,6,3,22,20,12,16,13,15,7,17,11,5,18,4,23,19,9,26,24,25,8,14,10/E:(8,9)(10,11)/rA:26nCCCCCCCNCOCCCNCCCCCCCCCClFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s20;d21;d18s22;s23;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21Cl2FN2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6018 |
Area: | 591.551 |
Solvation: | -3.18703 |
Coulombic: | -32.3326 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 395.297 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.59 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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