ChemDB: Chemical Search
Download
Chemical ID: 7326039
Chemical ID:
7326039
Name [?]:
N-(2,5-difluorophenyl)-2-(3-methyl-1-piperidyl)-acetamide
SMILES [?]:
CC1CCCN(C1)CC(=O)Nc2cc(ccc2F)F
InChi [?]:
InChI=1/C14H18F2N2O/c1-10-3-2-6-18(8-10)9-14(19)17-13-7-11(15)4-5-12(13)16/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,4,3,15,16,5,13,7,8,2,14,17,12,9,19,18,11,6,10/rA:19cCCCCCNCCCONCCCCCCFF/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18F2N2O |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.1706 |
Area: | 438.144 |
Solvation: | -3.783 |
Coulombic: | -32.6932 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.28 |
LogP (Chemaxon): | 1.99 |
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 |
---|