ChemDB: Chemical Search
Download
Chemical ID: 7309849
Chemical ID:
7309849
Name [?]:
2-[4-(4-fluorobenzoyl)phenoxy]-N-methyl-acetamide
SMILES [?]:
CNC(=O)COc1ccc(cc1)C(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C16H14FNO3/c1-18-15(19)10-21-14-8-4-12(5-9-14)16(20)11-2-6-13(17)7-3-11/h2-9H,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,16,20,9,11,17,19,8,12,5,15,10,18,7,3,13,21,2,4,14,6/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCNCOCOCCCCCCCOCCCCCCF/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14FNO3 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.1981 |
Area: | 483.522 |
Solvation: | -5.88995 |
Coulombic: | -40.7936 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 287.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.82 |
LogP (Chemaxon): | 2.08 |
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 |
---|