ChemDB: Chemical Search
Download
Chemical ID: 7477334
Chemical ID:
7477334
Name [?]:
N-(4-fluorophenyl)-2-(3-methylphenoxy)-propanamide
SMILES [?]:
Cc1cccc(c1)OC(C)C(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C16H16FNO2/c1-11-4-3-5-15(10-11)20-12(2)16(19)18-14-8-6-13(17)7-9-14/h3-10,12H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,10,4,3,5,16,18,15,19,7,2,9,17,14,6,11,20,13,12,8/E:(6,7)(8,9)/rA:20cCCCCCCCOCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16FNO2 |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.46797 |
Area: | 469.072 |
Solvation: | -4.25883 |
Coulombic: | -33.3857 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 273.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.8 |
LogP (Chemaxon): | 4.02 |
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 |
---|