ChemDB: Chemical Search
Download
Chemical ID: 4203879
Chemical ID:
4203879
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-2-(2-chlorophenoxy)-acetamide
SMILES [?]:
c1ccc(c(c1)OCC(=O)Nc2ccc(c(c2)Cl)F)Cl
InChi [?]:
InChI=1/C14H10Cl2FNO2/c15-10-3-1-2-4-13(10)20-8-14(19)18-9-5-6-12(17)11(16)7-9/h1-7H,8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,13,14,17,8,12,4,16,15,5,9,20,18,19,11,10,7/rA:20nCCCCCCOCCONCCCCCCClFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl2FNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.22036 |
Area: | 491.723 |
Solvation: | -5.07272 |
Coulombic: | -32.5025 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 314.139 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.08 |
LogP (Chemaxon): | 4.05 |
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 |
---|