ChemDB: Chemical Search
Download
Chemical ID: 6611900
Chemical ID:
6611900
Name [?]:
N-(3-acetylphenyl)-2-(4-fluorophenoxy)-acetamide
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)COc2ccc(cc2)F
InChi [?]:
InChI=1/C16H14FNO3/c1-11(19)12-3-2-4-14(9-12)18-16(20)10-21-15-7-5-13(17)6-8-15/h2-9H,10H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,17,19,16,20,9,13,2,4,18,8,15,11,21,10,3,12,14/E:(5,6)(7,8)/rA:21nCCOCCCCCCNCOCOCCCCCCF/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14FNO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.75531 |
Area: | 485.182 |
Solvation: | -6.37424 |
Coulombic: | -37.9988 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.68 |
LogP (Chemaxon): | 2.32 |
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 |
---|