Chemical ID: 4511026

c1cc(ccc1C(=O)N2CCC(CC2)C(=O)Nc3ccc(cc3F)F)Cl
Chemical ID:
4511026
Name [?]:
1-(4-chlorobenzoyl)-N-(2,4-difluorophenyl)-piperidine-4-carboxamide
SMILES [?]:
c1cc(ccc1C(=O)N2CCC(CC2)C(=O)Nc3ccc(cc3F)F)Cl
InChi [?]:
InChI=1/C19H17ClF2N2O2/c20-14-3-1-13(2-4-14)19(26)24-9-7-12(8-10-24)18(25)23-17-6-5-15(21)11-16(17)22/h1-6,11-12H,7-10H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,20,19,11,13,10,14,22,12,6,3,21,23,18,15,7,26,25,24,17,9,16,8/E:(1,2)(3,4)(7,8)(9,10)/rA:26nCCCCCCCONCCCCCCONCCCCCCFFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClF2N2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.62229
Area:560.701
Solvation:-4.39523
Coulombic:-45.4857
Bond Count [?]
All:28
Single:20
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.8
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.79
LogP (Chemaxon):2.93

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