Chemical ID: 6616608

Cc1cc(ccc1NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)Cl)Cl
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue