Chemical ID: 4411263

Cc1ccccc1C(=O)N2CCC(CC2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F
Chemical ID:
4411263
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methylbenzoyl)-piperidine-4-carboxamide
SMILES [?]:
Cc1ccccc1C(=O)N2CCC(CC2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C21H20ClF3N2O2/c1-13-4-2-3-5-16(13)20(29)27-10-8-14(9-11-27)19(28)26-18-12-15(21(23,24)25)6-7-17(18)22/h2-7,12,14H,8-11H2,1H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,22,23,12,14,11,15,20,2,13,21,7,24,19,16,8,26,25,27,28,29,18,10,17,9/E:(8,9)(10,11)(23,24,25)/rA:29nCCCCCCCCONCCCCCCONCCCCCCClCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s21;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20ClF3N2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.5107
Area:604.316
Solvation:-3.59724
Coulombic:-57.6896
Bond Count [?]
All:31
Single:23
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:424.844
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.82
LogP (Chemaxon):4.0

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