ChemDB: Chemical Search
Download
Chemical ID: 7281398
Chemical ID:
7281398
Name [?]:
3,5-difluoro-N-(4-isopropylphenyl)-benzamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)c2cc(cc(c2)F)F
InChi [?]:
InChI=1/C16H15F2NO/c1-10(2)11-3-5-15(6-4-11)19-16(20)12-7-13(17)9-14(18)8-12/h3-10H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,5,9,6,8,14,18,16,2,4,13,15,17,7,11,20,19,10,12/E:(1,2)(3,4)(5,6)(7,8)(13,14)(17,18)/rA:20nCCCCCCCCCNCOCCCCCCFF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15F2NO |
All Atoms: | 35 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96336 |
Area: | 458.689 |
Solvation: | -3.50386 |
Coulombic: | -28.6483 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.293 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.58 |
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 |
---|