ChemDB: Chemical Search
Download
Chemical ID: 6482573
Chemical ID:
6482573
Name [?]:
2,6-difluoro-N-(1-methyl-4-piperidyl)-N-propyl-benzamide
SMILES [?]:
CCCN(C1CCN(CC1)C)C(=O)c2c(cccc2F)F
InChi [?]:
InChI=1/C16H22F2N2O/c1-3-9-20(12-7-10-19(2)11-8-12)16(21)15-13(17)5-4-6-14(15)18/h4-6,12H,3,7-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,17,16,18,6,10,3,7,9,5,15,19,14,12,21,20,8,4,13/E:(5,6)(7,8)(10,11)(13,14)(17,18)/rA:21nCCCNCCCNCCCCOCCCCCCFF/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s8;s4;d12;s12;s14;d15;s16;d17;d14s18;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22F2N2O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.61154 |
Area: | 463.396 |
Solvation: | -3.97336 |
Coulombic: | -28.623 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 296.356 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.07 |
LogP (Chemaxon): | 2.26 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|