ChemDB: Chemical Search
Download
Chemical ID: 7275825
Chemical ID:
7275825
Name [?]:
N-[1-(4-fluorophenyl)ethyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NC(C)c2ccc(cc2)F
InChi [?]:
InChI=1/C16H16FNO/c1-11-3-5-14(6-4-11)16(19)18-12(2)13-7-9-15(17)10-8-13/h3-10,12H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,12,3,7,4,6,14,18,15,17,2,11,13,5,16,8,19,10,9/E:(3,4)(5,6)(7,8)(9,10)/rA:19cCCCCCCCCONCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16FNO |
All Atoms: | 35 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.80375 |
Area: | 455.038 |
Solvation: | -2.57221 |
Coulombic: | -28.1385 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 257.303 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.26 |
LogP (Chemaxon): | 3.74 |
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 |
---|