ChemDB: Chemical Search
Download
Chemical ID: 4361151
Chemical ID:
4361151
Name [?]:
5-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-furan-2-carboxamide
SMILES [?]:
c1cc(ccc1NC(=O)c2ccc(o2)c3ccc(cc3Cl)Cl)F
InChi [?]:
InChI=1/C17H10Cl2FNO2/c18-10-1-6-13(14(19)9-10)15-7-8-16(23-15)17(22)21-12-4-2-11(20)3-5-12/h1-9H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:17,2,4,1,5,16,12,11,19,18,3,6,15,20,13,10,8,22,21,23,7,9,14/E:(2,3)(4,5)/rA:23nCCCCCCNCOCCCCOCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;d10;s11;d12;s10s13;s13;s15;d16;s17;d18;d15s19;s20;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10Cl2FNO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3037 |
Area: | 533.773 |
Solvation: | -3.04064 |
Coulombic: | -35.9526 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 350.171 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.05 |
LogP (Chemaxon): | 4.68 |
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 |
---|