ChemDB: Chemical Search
Download
Chemical ID: 6943741
Chemical ID:
6943741
Name [?]:
N-(3-fluorophenyl)-3-isobutoxy-benzamide
SMILES [?]:
CC(C)COc1cccc(c1)C(=O)Nc2cccc(c2)F
InChi [?]:
InChI=1/C17H18FNO2/c1-12(2)11-21-16-8-3-5-13(9-16)17(20)19-15-7-4-6-14(18)10-15/h3-10,12H,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,8,17,9,18,16,7,11,20,4,2,10,19,15,6,12,21,14,13,5/E:(1,2)/rA:21nCCCCOCCCCCCCONCCCCCCF/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18FNO2 |
All Atoms: | 39 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56971 |
Area: | 496.196 |
Solvation: | -3.83519 |
Coulombic: | -33.8399 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.15 |
LogP (Chemaxon): | 4.2 |
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 |
---|