ChemDB: Chemical Search
Download
Chemical ID: 6850572
Chemical ID:
6850572
Name [?]:
4-(4-chloro-3-methyl-phenoxy)-N-(2-fluorophenyl)-butanamide
SMILES [?]:
Cc1cc(ccc1Cl)OCCCC(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C17H17ClFNO2/c1-12-11-13(8-9-14(12)18)22-10-4-7-17(21)20-16-6-3-2-5-15(16)19/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,19,18,11,20,17,12,5,6,10,3,2,4,7,21,16,13,8,22,15,14,9/rA:22nCCCCCCCClOCCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17ClFNO2 |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.30206 |
Area: | 533.278 |
Solvation: | -4.02989 |
Coulombic: | -32.8681 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 321.774 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.2 |
LogP (Chemaxon): | 3.78 |
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 |
---|