Chemical ID: 7252089

Cc1ccc(cc1F)NC(=O)C2CCCN(C2)C(=O)c3ccc(cc3)Cl
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

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