ChemDB: Chemical Search
Download
Chemical ID: 4242047
Chemical ID:
4242047
Name [?]:
N-(2-chloro-5-propanoylamino-phenyl)-3-fluoro-benzamide
SMILES [?]:
CCC(=O)Nc1ccc(c(c1)NC(=O)c2cccc(c2)F)Cl
InChi [?]:
InChI=1/C16H14ClFN2O2/c1-2-15(21)19-12-6-7-13(17)14(9-12)20-16(22)10-4-3-5-11(18)8-10/h3-9H,2H2,1H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,7,8,20,11,15,19,6,9,10,3,13,22,21,5,12,4,14/rA:22nCCCONCCCCCCNCOCCCCCCFCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClFN2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.34349 |
Area: | 510.186 |
Solvation: | -3.41115 |
Coulombic: | -45.6366 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 320.746 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.28 |
LogP (Chemaxon): | 3.06 |
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 |
---|